Descriptor List =============== preset descriptors .. code:: python calc = Calculator(descriptors) .. csv-table:: Descriptor list :header: "#", "module", "name", "constructor", "dim", "description" :widths: 1, 2, 2, 4, 1, 10 1, :py:mod:`~mordred.ABCIndex`, ABC, ":py:class:`~mordred.ABCIndex.ABCIndex` ()", 2D, "atom-bond connectivity index" 2, , ABCGG, ":py:class:`~mordred.ABCIndex.ABCGGIndex` ()", 2D, "Graovac-Ghorbani atom-bond connectivity index" 3, :py:mod:`~mordred.AcidBase`, nAcid, ":py:class:`~mordred.AcidBase.AcidicGroupCount` ()", 2D, "acidic group count" 4, , nBase, ":py:class:`~mordred.AcidBase.BasicGroupCount` ()", 2D, "basic group count" 5, :py:mod:`~mordred.AdjacencyMatrix`, SpAbs_A, ":py:class:`~mordred.AdjacencyMatrix.AdjacencyMatrix` ('SpAbs')", 2D, "SpAbs of adjacency matrix" 6, , SpMax_A, ":py:class:`~mordred.AdjacencyMatrix.AdjacencyMatrix` ('SpMax')", 2D, "SpMax of adjacency matrix" 7, , SpDiam_A, ":py:class:`~mordred.AdjacencyMatrix.AdjacencyMatrix` ('SpDiam')", 2D, "SpDiam of adjacency matrix" 8, , SpAD_A, ":py:class:`~mordred.AdjacencyMatrix.AdjacencyMatrix` ('SpAD')", 2D, "SpAD of adjacency matrix" 9, , SpMAD_A, ":py:class:`~mordred.AdjacencyMatrix.AdjacencyMatrix` ('SpMAD')", 2D, "SpMAD of adjacency matrix" 10, , LogEE_A, ":py:class:`~mordred.AdjacencyMatrix.AdjacencyMatrix` ('LogEE')", 2D, "LogEE of adjacency matrix" 11, , VE1_A, ":py:class:`~mordred.AdjacencyMatrix.AdjacencyMatrix` ('VE1')", 2D, "VE1 of adjacency matrix" 12, , VE2_A, ":py:class:`~mordred.AdjacencyMatrix.AdjacencyMatrix` ('VE2')", 2D, "VE2 of adjacency matrix" 13, , VE3_A, ":py:class:`~mordred.AdjacencyMatrix.AdjacencyMatrix` ('VE3')", 2D, "VE3 of adjacency matrix" 14, , VR1_A, ":py:class:`~mordred.AdjacencyMatrix.AdjacencyMatrix` ('VR1')", 2D, "VR1 of adjacency matrix" 15, , VR2_A, ":py:class:`~mordred.AdjacencyMatrix.AdjacencyMatrix` ('VR2')", 2D, "VR2 of adjacency matrix" 16, , VR3_A, ":py:class:`~mordred.AdjacencyMatrix.AdjacencyMatrix` ('VR3')", 2D, "VR3 of adjacency matrix" 17, :py:mod:`~mordred.Aromatic`, nAromAtom, ":py:class:`~mordred.Aromatic.AromaticAtomsCount` ()", 2D, "aromatic atoms count" 18, , nAromBond, ":py:class:`~mordred.Aromatic.AromaticBondsCount` ()", 2D, "aromatic bonds count" 19, :py:mod:`~mordred.AtomCount`, nAtom, ":py:class:`~mordred.AtomCount.AtomCount` ('Atom')", 2D, "number of all atoms" 20, , nHeavyAtom, ":py:class:`~mordred.AtomCount.AtomCount` ('HeavyAtom')", 2D, "number of heavy atoms" 21, , nSpiro, ":py:class:`~mordred.AtomCount.AtomCount` ('Spiro')", 2D, "number of spiro atoms" 22, , nBridgehead, ":py:class:`~mordred.AtomCount.AtomCount` ('Bridgehead')", 2D, "number of bridgehead atoms" 23, , nHetero, ":py:class:`~mordred.AtomCount.AtomCount` ('Hetero')", 2D, "number of hetero atoms" 24, , nH, ":py:class:`~mordred.AtomCount.AtomCount` ('H')", 2D, "number of H atoms" 25, , nB, ":py:class:`~mordred.AtomCount.AtomCount` ('B')", 2D, "number of B atoms" 26, , nC, ":py:class:`~mordred.AtomCount.AtomCount` ('C')", 2D, "number of C atoms" 27, , nN, ":py:class:`~mordred.AtomCount.AtomCount` ('N')", 2D, "number of N atoms" 28, , nO, ":py:class:`~mordred.AtomCount.AtomCount` ('O')", 2D, "number of O atoms" 29, , nS, ":py:class:`~mordred.AtomCount.AtomCount` ('S')", 2D, "number of S atoms" 30, , nP, ":py:class:`~mordred.AtomCount.AtomCount` ('P')", 2D, "number of P atoms" 31, , nF, ":py:class:`~mordred.AtomCount.AtomCount` ('F')", 2D, "number of F atoms" 32, , nCl, ":py:class:`~mordred.AtomCount.AtomCount` ('Cl')", 2D, "number of Cl atoms" 33, , nBr, ":py:class:`~mordred.AtomCount.AtomCount` ('Br')", 2D, "number of Br atoms" 34, , nI, ":py:class:`~mordred.AtomCount.AtomCount` ('I')", 2D, "number of I atoms" 35, , nX, ":py:class:`~mordred.AtomCount.AtomCount` ('X')", 2D, "number of halogen atoms" 36, :py:mod:`~mordred.Autocorrelation`, ATS0dv, ":py:class:`~mordred.Autocorrelation.ATS` (0, 'dv')", 2D, "moreau-broto autocorrelation of lag 0 weighted by valence electrons" 37, , ATS1dv, ":py:class:`~mordred.Autocorrelation.ATS` (1, 'dv')", 2D, "moreau-broto autocorrelation of lag 1 weighted by valence electrons" 38, , ATS2dv, ":py:class:`~mordred.Autocorrelation.ATS` (2, 'dv')", 2D, "moreau-broto autocorrelation of lag 2 weighted by valence electrons" 39, , ATS3dv, ":py:class:`~mordred.Autocorrelation.ATS` (3, 'dv')", 2D, "moreau-broto autocorrelation of lag 3 weighted by valence electrons" 40, , ATS4dv, ":py:class:`~mordred.Autocorrelation.ATS` (4, 'dv')", 2D, "moreau-broto autocorrelation of lag 4 weighted by valence electrons" 41, , ATS5dv, ":py:class:`~mordred.Autocorrelation.ATS` (5, 'dv')", 2D, "moreau-broto autocorrelation of lag 5 weighted by valence electrons" 42, , ATS6dv, ":py:class:`~mordred.Autocorrelation.ATS` (6, 'dv')", 2D, "moreau-broto autocorrelation of lag 6 weighted by valence electrons" 43, , ATS7dv, ":py:class:`~mordred.Autocorrelation.ATS` (7, 'dv')", 2D, "moreau-broto autocorrelation of lag 7 weighted by valence electrons" 44, , ATS8dv, ":py:class:`~mordred.Autocorrelation.ATS` (8, 'dv')", 2D, "moreau-broto autocorrelation of lag 8 weighted by valence electrons" 45, , ATS0d, ":py:class:`~mordred.Autocorrelation.ATS` (0, 'd')", 2D, "moreau-broto autocorrelation of lag 0 weighted by sigma electrons" 46, , ATS1d, ":py:class:`~mordred.Autocorrelation.ATS` (1, 'd')", 2D, "moreau-broto autocorrelation of lag 1 weighted by sigma electrons" 47, , ATS2d, ":py:class:`~mordred.Autocorrelation.ATS` (2, 'd')", 2D, "moreau-broto autocorrelation of lag 2 weighted by sigma electrons" 48, , ATS3d, ":py:class:`~mordred.Autocorrelation.ATS` (3, 'd')", 2D, "moreau-broto autocorrelation of lag 3 weighted by sigma electrons" 49, , ATS4d, ":py:class:`~mordred.Autocorrelation.ATS` (4, 'd')", 2D, "moreau-broto autocorrelation of lag 4 weighted by sigma electrons" 50, , ATS5d, ":py:class:`~mordred.Autocorrelation.ATS` (5, 'd')", 2D, "moreau-broto autocorrelation of lag 5 weighted by sigma electrons" 51, , ATS6d, ":py:class:`~mordred.Autocorrelation.ATS` (6, 'd')", 2D, "moreau-broto autocorrelation of lag 6 weighted by sigma electrons" 52, , ATS7d, ":py:class:`~mordred.Autocorrelation.ATS` (7, 'd')", 2D, "moreau-broto autocorrelation of lag 7 weighted by sigma electrons" 53, , ATS8d, ":py:class:`~mordred.Autocorrelation.ATS` (8, 'd')", 2D, "moreau-broto autocorrelation of lag 8 weighted by sigma electrons" 54, , ATS0s, ":py:class:`~mordred.Autocorrelation.ATS` (0, 's')", 2D, "moreau-broto autocorrelation of lag 0 weighted by intrinsic state" 55, , ATS1s, ":py:class:`~mordred.Autocorrelation.ATS` (1, 's')", 2D, "moreau-broto autocorrelation of lag 1 weighted by intrinsic state" 56, , ATS2s, ":py:class:`~mordred.Autocorrelation.ATS` (2, 's')", 2D, "moreau-broto autocorrelation of lag 2 weighted by intrinsic state" 57, , ATS3s, ":py:class:`~mordred.Autocorrelation.ATS` (3, 's')", 2D, "moreau-broto autocorrelation of lag 3 weighted by intrinsic state" 58, , ATS4s, ":py:class:`~mordred.Autocorrelation.ATS` (4, 's')", 2D, "moreau-broto autocorrelation of lag 4 weighted by intrinsic state" 59, , ATS5s, ":py:class:`~mordred.Autocorrelation.ATS` (5, 's')", 2D, "moreau-broto autocorrelation of lag 5 weighted by intrinsic state" 60, , ATS6s, ":py:class:`~mordred.Autocorrelation.ATS` (6, 's')", 2D, "moreau-broto autocorrelation of lag 6 weighted by intrinsic state" 61, , ATS7s, ":py:class:`~mordred.Autocorrelation.ATS` (7, 's')", 2D, "moreau-broto autocorrelation of lag 7 weighted by intrinsic state" 62, , ATS8s, ":py:class:`~mordred.Autocorrelation.ATS` (8, 's')", 2D, "moreau-broto autocorrelation of lag 8 weighted by intrinsic state" 63, , ATS0Z, ":py:class:`~mordred.Autocorrelation.ATS` (0, 'Z')", 2D, "moreau-broto autocorrelation of lag 0 weighted by atomic number" 64, , ATS1Z, ":py:class:`~mordred.Autocorrelation.ATS` (1, 'Z')", 2D, "moreau-broto autocorrelation of lag 1 weighted by atomic number" 65, , ATS2Z, ":py:class:`~mordred.Autocorrelation.ATS` (2, 'Z')", 2D, "moreau-broto autocorrelation of lag 2 weighted by atomic number" 66, , ATS3Z, ":py:class:`~mordred.Autocorrelation.ATS` (3, 'Z')", 2D, "moreau-broto autocorrelation of lag 3 weighted by atomic number" 67, , ATS4Z, ":py:class:`~mordred.Autocorrelation.ATS` (4, 'Z')", 2D, "moreau-broto autocorrelation of lag 4 weighted by atomic number" 68, , ATS5Z, ":py:class:`~mordred.Autocorrelation.ATS` (5, 'Z')", 2D, "moreau-broto autocorrelation of lag 5 weighted by atomic number" 69, , ATS6Z, ":py:class:`~mordred.Autocorrelation.ATS` (6, 'Z')", 2D, "moreau-broto autocorrelation of lag 6 weighted by atomic number" 70, , ATS7Z, ":py:class:`~mordred.Autocorrelation.ATS` (7, 'Z')", 2D, "moreau-broto autocorrelation of lag 7 weighted by atomic number" 71, , ATS8Z, ":py:class:`~mordred.Autocorrelation.ATS` (8, 'Z')", 2D, "moreau-broto autocorrelation of lag 8 weighted by atomic number" 72, , ATS0m, ":py:class:`~mordred.Autocorrelation.ATS` (0, 'm')", 2D, "moreau-broto autocorrelation of lag 0 weighted by mass" 73, , ATS1m, ":py:class:`~mordred.Autocorrelation.ATS` (1, 'm')", 2D, "moreau-broto autocorrelation of lag 1 weighted by mass" 74, , ATS2m, ":py:class:`~mordred.Autocorrelation.ATS` (2, 'm')", 2D, "moreau-broto autocorrelation of lag 2 weighted by mass" 75, , ATS3m, ":py:class:`~mordred.Autocorrelation.ATS` (3, 'm')", 2D, "moreau-broto autocorrelation of lag 3 weighted by mass" 76, , ATS4m, ":py:class:`~mordred.Autocorrelation.ATS` (4, 'm')", 2D, "moreau-broto autocorrelation of lag 4 weighted by mass" 77, , ATS5m, ":py:class:`~mordred.Autocorrelation.ATS` (5, 'm')", 2D, "moreau-broto autocorrelation of lag 5 weighted by mass" 78, , ATS6m, ":py:class:`~mordred.Autocorrelation.ATS` (6, 'm')", 2D, "moreau-broto autocorrelation of lag 6 weighted by mass" 79, , ATS7m, ":py:class:`~mordred.Autocorrelation.ATS` (7, 'm')", 2D, "moreau-broto autocorrelation of lag 7 weighted by mass" 80, , ATS8m, ":py:class:`~mordred.Autocorrelation.ATS` (8, 'm')", 2D, "moreau-broto autocorrelation of lag 8 weighted by mass" 81, , ATS0v, ":py:class:`~mordred.Autocorrelation.ATS` (0, 'v')", 2D, "moreau-broto autocorrelation of lag 0 weighted by vdw volume" 82, , ATS1v, ":py:class:`~mordred.Autocorrelation.ATS` (1, 'v')", 2D, "moreau-broto autocorrelation of lag 1 weighted by vdw volume" 83, , ATS2v, ":py:class:`~mordred.Autocorrelation.ATS` (2, 'v')", 2D, "moreau-broto autocorrelation of lag 2 weighted by vdw volume" 84, , ATS3v, ":py:class:`~mordred.Autocorrelation.ATS` (3, 'v')", 2D, "moreau-broto autocorrelation of lag 3 weighted by vdw volume" 85, , ATS4v, ":py:class:`~mordred.Autocorrelation.ATS` (4, 'v')", 2D, "moreau-broto autocorrelation of lag 4 weighted by vdw volume" 86, , ATS5v, ":py:class:`~mordred.Autocorrelation.ATS` (5, 'v')", 2D, "moreau-broto autocorrelation of lag 5 weighted by vdw volume" 87, , ATS6v, ":py:class:`~mordred.Autocorrelation.ATS` (6, 'v')", 2D, "moreau-broto autocorrelation of lag 6 weighted by vdw volume" 88, , ATS7v, ":py:class:`~mordred.Autocorrelation.ATS` (7, 'v')", 2D, "moreau-broto autocorrelation of lag 7 weighted by vdw volume" 89, , ATS8v, ":py:class:`~mordred.Autocorrelation.ATS` (8, 'v')", 2D, "moreau-broto autocorrelation of lag 8 weighted by vdw volume" 90, , ATS0se, ":py:class:`~mordred.Autocorrelation.ATS` (0, 'se')", 2D, "moreau-broto autocorrelation of lag 0 weighted by sanderson EN" 91, , ATS1se, ":py:class:`~mordred.Autocorrelation.ATS` (1, 'se')", 2D, "moreau-broto autocorrelation of lag 1 weighted by sanderson EN" 92, , ATS2se, ":py:class:`~mordred.Autocorrelation.ATS` (2, 'se')", 2D, "moreau-broto autocorrelation of lag 2 weighted by sanderson EN" 93, , ATS3se, ":py:class:`~mordred.Autocorrelation.ATS` (3, 'se')", 2D, "moreau-broto autocorrelation of lag 3 weighted by sanderson EN" 94, , ATS4se, ":py:class:`~mordred.Autocorrelation.ATS` (4, 'se')", 2D, "moreau-broto autocorrelation of lag 4 weighted by sanderson EN" 95, , ATS5se, ":py:class:`~mordred.Autocorrelation.ATS` (5, 'se')", 2D, "moreau-broto autocorrelation of lag 5 weighted by sanderson EN" 96, , ATS6se, ":py:class:`~mordred.Autocorrelation.ATS` (6, 'se')", 2D, "moreau-broto autocorrelation of lag 6 weighted by sanderson EN" 97, , ATS7se, ":py:class:`~mordred.Autocorrelation.ATS` (7, 'se')", 2D, "moreau-broto autocorrelation of lag 7 weighted by sanderson EN" 98, , ATS8se, ":py:class:`~mordred.Autocorrelation.ATS` (8, 'se')", 2D, "moreau-broto autocorrelation of lag 8 weighted by sanderson EN" 99, , ATS0pe, ":py:class:`~mordred.Autocorrelation.ATS` (0, 'pe')", 2D, "moreau-broto autocorrelation of lag 0 weighted by pauling EN" 100, , ATS1pe, ":py:class:`~mordred.Autocorrelation.ATS` (1, 'pe')", 2D, "moreau-broto autocorrelation of lag 1 weighted by pauling EN" 101, , ATS2pe, ":py:class:`~mordred.Autocorrelation.ATS` (2, 'pe')", 2D, "moreau-broto autocorrelation of lag 2 weighted by pauling EN" 102, , ATS3pe, ":py:class:`~mordred.Autocorrelation.ATS` (3, 'pe')", 2D, "moreau-broto autocorrelation of lag 3 weighted by pauling EN" 103, , ATS4pe, ":py:class:`~mordred.Autocorrelation.ATS` (4, 'pe')", 2D, "moreau-broto autocorrelation of lag 4 weighted by pauling EN" 104, , ATS5pe, ":py:class:`~mordred.Autocorrelation.ATS` (5, 'pe')", 2D, "moreau-broto autocorrelation of lag 5 weighted by pauling EN" 105, , ATS6pe, ":py:class:`~mordred.Autocorrelation.ATS` (6, 'pe')", 2D, "moreau-broto autocorrelation of lag 6 weighted by pauling EN" 106, , ATS7pe, ":py:class:`~mordred.Autocorrelation.ATS` (7, 'pe')", 2D, "moreau-broto autocorrelation of lag 7 weighted by pauling EN" 107, , ATS8pe, ":py:class:`~mordred.Autocorrelation.ATS` (8, 'pe')", 2D, "moreau-broto autocorrelation of lag 8 weighted by pauling EN" 108, , ATS0are, ":py:class:`~mordred.Autocorrelation.ATS` (0, 'are')", 2D, "moreau-broto autocorrelation of lag 0 weighted by allred-rocow EN" 109, , ATS1are, ":py:class:`~mordred.Autocorrelation.ATS` (1, 'are')", 2D, "moreau-broto autocorrelation of lag 1 weighted by allred-rocow EN" 110, , ATS2are, ":py:class:`~mordred.Autocorrelation.ATS` (2, 'are')", 2D, "moreau-broto autocorrelation of lag 2 weighted by allred-rocow EN" 111, , ATS3are, ":py:class:`~mordred.Autocorrelation.ATS` (3, 'are')", 2D, "moreau-broto autocorrelation of lag 3 weighted by allred-rocow EN" 112, , ATS4are, ":py:class:`~mordred.Autocorrelation.ATS` (4, 'are')", 2D, "moreau-broto autocorrelation of lag 4 weighted by allred-rocow EN" 113, , ATS5are, ":py:class:`~mordred.Autocorrelation.ATS` (5, 'are')", 2D, "moreau-broto autocorrelation of lag 5 weighted by allred-rocow EN" 114, , ATS6are, ":py:class:`~mordred.Autocorrelation.ATS` (6, 'are')", 2D, "moreau-broto autocorrelation of lag 6 weighted by allred-rocow EN" 115, , ATS7are, ":py:class:`~mordred.Autocorrelation.ATS` (7, 'are')", 2D, "moreau-broto autocorrelation of lag 7 weighted by allred-rocow EN" 116, , ATS8are, ":py:class:`~mordred.Autocorrelation.ATS` (8, 'are')", 2D, "moreau-broto autocorrelation of lag 8 weighted by allred-rocow EN" 117, , ATS0p, ":py:class:`~mordred.Autocorrelation.ATS` (0, 'p')", 2D, "moreau-broto autocorrelation of lag 0 weighted by polarizability" 118, , ATS1p, ":py:class:`~mordred.Autocorrelation.ATS` (1, 'p')", 2D, "moreau-broto autocorrelation of lag 1 weighted by polarizability" 119, , ATS2p, ":py:class:`~mordred.Autocorrelation.ATS` (2, 'p')", 2D, "moreau-broto autocorrelation of lag 2 weighted by polarizability" 120, , ATS3p, ":py:class:`~mordred.Autocorrelation.ATS` (3, 'p')", 2D, "moreau-broto autocorrelation of lag 3 weighted by polarizability" 121, , ATS4p, ":py:class:`~mordred.Autocorrelation.ATS` (4, 'p')", 2D, "moreau-broto autocorrelation of lag 4 weighted by polarizability" 122, , ATS5p, ":py:class:`~mordred.Autocorrelation.ATS` (5, 'p')", 2D, "moreau-broto autocorrelation of lag 5 weighted by polarizability" 123, , ATS6p, ":py:class:`~mordred.Autocorrelation.ATS` (6, 'p')", 2D, "moreau-broto autocorrelation of lag 6 weighted by polarizability" 124, , ATS7p, ":py:class:`~mordred.Autocorrelation.ATS` (7, 'p')", 2D, "moreau-broto autocorrelation of lag 7 weighted by polarizability" 125, , ATS8p, ":py:class:`~mordred.Autocorrelation.ATS` (8, 'p')", 2D, "moreau-broto autocorrelation of lag 8 weighted by polarizability" 126, , ATS0i, ":py:class:`~mordred.Autocorrelation.ATS` (0, 'i')", 2D, "moreau-broto autocorrelation of lag 0 weighted by ionization potential" 127, , ATS1i, ":py:class:`~mordred.Autocorrelation.ATS` (1, 'i')", 2D, "moreau-broto autocorrelation of lag 1 weighted by ionization potential" 128, , ATS2i, ":py:class:`~mordred.Autocorrelation.ATS` (2, 'i')", 2D, "moreau-broto autocorrelation of lag 2 weighted by ionization potential" 129, , ATS3i, ":py:class:`~mordred.Autocorrelation.ATS` (3, 'i')", 2D, "moreau-broto autocorrelation of lag 3 weighted by ionization potential" 130, , ATS4i, ":py:class:`~mordred.Autocorrelation.ATS` (4, 'i')", 2D, "moreau-broto autocorrelation of lag 4 weighted by ionization potential" 131, , ATS5i, ":py:class:`~mordred.Autocorrelation.ATS` (5, 'i')", 2D, "moreau-broto autocorrelation of lag 5 weighted by ionization potential" 132, , ATS6i, ":py:class:`~mordred.Autocorrelation.ATS` (6, 'i')", 2D, "moreau-broto autocorrelation of lag 6 weighted by ionization potential" 133, , ATS7i, ":py:class:`~mordred.Autocorrelation.ATS` (7, 'i')", 2D, "moreau-broto autocorrelation of lag 7 weighted by ionization potential" 134, , ATS8i, ":py:class:`~mordred.Autocorrelation.ATS` (8, 'i')", 2D, "moreau-broto autocorrelation of lag 8 weighted by ionization potential" 135, , AATS0dv, ":py:class:`~mordred.Autocorrelation.AATS` (0, 'dv')", 2D, "averaged moreau-broto autocorrelation of lag 0 weighted by valence electrons" 136, , AATS1dv, ":py:class:`~mordred.Autocorrelation.AATS` (1, 'dv')", 2D, "averaged moreau-broto autocorrelation of lag 1 weighted by valence electrons" 137, , AATS2dv, ":py:class:`~mordred.Autocorrelation.AATS` (2, 'dv')", 2D, "averaged moreau-broto autocorrelation of lag 2 weighted by valence electrons" 138, , AATS3dv, ":py:class:`~mordred.Autocorrelation.AATS` (3, 'dv')", 2D, "averaged moreau-broto autocorrelation of lag 3 weighted by valence electrons" 139, , AATS4dv, ":py:class:`~mordred.Autocorrelation.AATS` (4, 'dv')", 2D, "averaged moreau-broto autocorrelation of lag 4 weighted by valence electrons" 140, , AATS5dv, ":py:class:`~mordred.Autocorrelation.AATS` (5, 'dv')", 2D, "averaged moreau-broto autocorrelation of lag 5 weighted by valence electrons" 141, , AATS6dv, ":py:class:`~mordred.Autocorrelation.AATS` (6, 'dv')", 2D, "averaged moreau-broto autocorrelation of lag 6 weighted by valence electrons" 142, , AATS7dv, ":py:class:`~mordred.Autocorrelation.AATS` (7, 'dv')", 2D, "averaged moreau-broto autocorrelation of lag 7 weighted by valence electrons" 143, , AATS8dv, ":py:class:`~mordred.Autocorrelation.AATS` (8, 'dv')", 2D, "averaged moreau-broto autocorrelation of lag 8 weighted by valence electrons" 144, , AATS0d, ":py:class:`~mordred.Autocorrelation.AATS` (0, 'd')", 2D, "averaged moreau-broto autocorrelation of lag 0 weighted by sigma electrons" 145, , AATS1d, ":py:class:`~mordred.Autocorrelation.AATS` (1, 'd')", 2D, "averaged moreau-broto autocorrelation of lag 1 weighted by sigma electrons" 146, , AATS2d, ":py:class:`~mordred.Autocorrelation.AATS` (2, 'd')", 2D, "averaged moreau-broto autocorrelation of lag 2 weighted by sigma electrons" 147, , AATS3d, ":py:class:`~mordred.Autocorrelation.AATS` (3, 'd')", 2D, "averaged moreau-broto autocorrelation of lag 3 weighted by sigma electrons" 148, , AATS4d, ":py:class:`~mordred.Autocorrelation.AATS` (4, 'd')", 2D, "averaged moreau-broto autocorrelation of lag 4 weighted by sigma electrons" 149, , AATS5d, ":py:class:`~mordred.Autocorrelation.AATS` (5, 'd')", 2D, "averaged moreau-broto autocorrelation of lag 5 weighted by sigma electrons" 150, , AATS6d, ":py:class:`~mordred.Autocorrelation.AATS` (6, 'd')", 2D, "averaged moreau-broto autocorrelation of lag 6 weighted by sigma electrons" 151, , AATS7d, ":py:class:`~mordred.Autocorrelation.AATS` (7, 'd')", 2D, "averaged moreau-broto autocorrelation of lag 7 weighted by sigma electrons" 152, , AATS8d, ":py:class:`~mordred.Autocorrelation.AATS` (8, 'd')", 2D, "averaged moreau-broto autocorrelation of lag 8 weighted by sigma electrons" 153, , AATS0s, ":py:class:`~mordred.Autocorrelation.AATS` (0, 's')", 2D, "averaged moreau-broto autocorrelation of lag 0 weighted by intrinsic state" 154, , AATS1s, ":py:class:`~mordred.Autocorrelation.AATS` (1, 's')", 2D, "averaged moreau-broto autocorrelation of lag 1 weighted by intrinsic state" 155, , AATS2s, ":py:class:`~mordred.Autocorrelation.AATS` (2, 's')", 2D, "averaged moreau-broto autocorrelation of lag 2 weighted by intrinsic state" 156, , AATS3s, ":py:class:`~mordred.Autocorrelation.AATS` (3, 's')", 2D, "averaged moreau-broto autocorrelation of lag 3 weighted by intrinsic state" 157, , AATS4s, ":py:class:`~mordred.Autocorrelation.AATS` (4, 's')", 2D, "averaged moreau-broto autocorrelation of lag 4 weighted by intrinsic state" 158, , AATS5s, ":py:class:`~mordred.Autocorrelation.AATS` (5, 's')", 2D, "averaged moreau-broto autocorrelation of lag 5 weighted by intrinsic state" 159, , AATS6s, ":py:class:`~mordred.Autocorrelation.AATS` (6, 's')", 2D, "averaged moreau-broto autocorrelation of lag 6 weighted by intrinsic state" 160, , AATS7s, ":py:class:`~mordred.Autocorrelation.AATS` (7, 's')", 2D, "averaged moreau-broto autocorrelation of lag 7 weighted by intrinsic state" 161, , AATS8s, ":py:class:`~mordred.Autocorrelation.AATS` (8, 's')", 2D, "averaged moreau-broto autocorrelation of lag 8 weighted by intrinsic state" 162, , AATS0Z, ":py:class:`~mordred.Autocorrelation.AATS` (0, 'Z')", 2D, "averaged moreau-broto autocorrelation of lag 0 weighted by atomic number" 163, , AATS1Z, ":py:class:`~mordred.Autocorrelation.AATS` (1, 'Z')", 2D, "averaged moreau-broto autocorrelation of lag 1 weighted by atomic number" 164, , AATS2Z, ":py:class:`~mordred.Autocorrelation.AATS` (2, 'Z')", 2D, "averaged moreau-broto autocorrelation of lag 2 weighted by atomic number" 165, , AATS3Z, ":py:class:`~mordred.Autocorrelation.AATS` (3, 'Z')", 2D, "averaged moreau-broto autocorrelation of lag 3 weighted by atomic number" 166, , AATS4Z, ":py:class:`~mordred.Autocorrelation.AATS` (4, 'Z')", 2D, "averaged moreau-broto autocorrelation of lag 4 weighted by atomic number" 167, , AATS5Z, ":py:class:`~mordred.Autocorrelation.AATS` (5, 'Z')", 2D, "averaged moreau-broto autocorrelation of lag 5 weighted by atomic number" 168, , AATS6Z, ":py:class:`~mordred.Autocorrelation.AATS` (6, 'Z')", 2D, "averaged moreau-broto autocorrelation of lag 6 weighted by atomic number" 169, , AATS7Z, ":py:class:`~mordred.Autocorrelation.AATS` (7, 'Z')", 2D, "averaged moreau-broto autocorrelation of lag 7 weighted by atomic number" 170, , AATS8Z, ":py:class:`~mordred.Autocorrelation.AATS` (8, 'Z')", 2D, "averaged moreau-broto autocorrelation of lag 8 weighted by atomic number" 171, , AATS0m, ":py:class:`~mordred.Autocorrelation.AATS` (0, 'm')", 2D, "averaged moreau-broto autocorrelation of lag 0 weighted by mass" 172, , AATS1m, ":py:class:`~mordred.Autocorrelation.AATS` (1, 'm')", 2D, "averaged moreau-broto autocorrelation of lag 1 weighted by mass" 173, , AATS2m, ":py:class:`~mordred.Autocorrelation.AATS` (2, 'm')", 2D, "averaged moreau-broto autocorrelation of lag 2 weighted by mass" 174, , AATS3m, ":py:class:`~mordred.Autocorrelation.AATS` (3, 'm')", 2D, "averaged moreau-broto autocorrelation of lag 3 weighted by mass" 175, , AATS4m, ":py:class:`~mordred.Autocorrelation.AATS` (4, 'm')", 2D, "averaged moreau-broto autocorrelation of lag 4 weighted by mass" 176, , AATS5m, ":py:class:`~mordred.Autocorrelation.AATS` (5, 'm')", 2D, "averaged moreau-broto autocorrelation of lag 5 weighted by mass" 177, , AATS6m, ":py:class:`~mordred.Autocorrelation.AATS` (6, 'm')", 2D, "averaged moreau-broto autocorrelation of lag 6 weighted by mass" 178, , AATS7m, ":py:class:`~mordred.Autocorrelation.AATS` (7, 'm')", 2D, "averaged moreau-broto autocorrelation of lag 7 weighted by mass" 179, , AATS8m, ":py:class:`~mordred.Autocorrelation.AATS` (8, 'm')", 2D, "averaged moreau-broto autocorrelation of lag 8 weighted by mass" 180, , AATS0v, ":py:class:`~mordred.Autocorrelation.AATS` (0, 'v')", 2D, "averaged moreau-broto autocorrelation of lag 0 weighted by vdw volume" 181, , AATS1v, ":py:class:`~mordred.Autocorrelation.AATS` (1, 'v')", 2D, "averaged moreau-broto autocorrelation of lag 1 weighted by vdw volume" 182, , AATS2v, ":py:class:`~mordred.Autocorrelation.AATS` (2, 'v')", 2D, "averaged moreau-broto autocorrelation of lag 2 weighted by vdw volume" 183, , AATS3v, ":py:class:`~mordred.Autocorrelation.AATS` (3, 'v')", 2D, "averaged moreau-broto autocorrelation of lag 3 weighted by vdw volume" 184, , AATS4v, ":py:class:`~mordred.Autocorrelation.AATS` (4, 'v')", 2D, "averaged moreau-broto autocorrelation of lag 4 weighted by vdw volume" 185, , AATS5v, ":py:class:`~mordred.Autocorrelation.AATS` (5, 'v')", 2D, "averaged moreau-broto autocorrelation of lag 5 weighted by vdw volume" 186, , AATS6v, ":py:class:`~mordred.Autocorrelation.AATS` (6, 'v')", 2D, "averaged moreau-broto autocorrelation of lag 6 weighted by vdw volume" 187, , AATS7v, ":py:class:`~mordred.Autocorrelation.AATS` (7, 'v')", 2D, "averaged moreau-broto autocorrelation of lag 7 weighted by vdw volume" 188, , AATS8v, ":py:class:`~mordred.Autocorrelation.AATS` (8, 'v')", 2D, "averaged moreau-broto autocorrelation of lag 8 weighted by vdw volume" 189, , AATS0se, ":py:class:`~mordred.Autocorrelation.AATS` (0, 'se')", 2D, "averaged moreau-broto autocorrelation of lag 0 weighted by sanderson EN" 190, , AATS1se, ":py:class:`~mordred.Autocorrelation.AATS` (1, 'se')", 2D, "averaged moreau-broto autocorrelation of lag 1 weighted by sanderson EN" 191, , AATS2se, ":py:class:`~mordred.Autocorrelation.AATS` (2, 'se')", 2D, "averaged moreau-broto autocorrelation of lag 2 weighted by sanderson EN" 192, , AATS3se, ":py:class:`~mordred.Autocorrelation.AATS` (3, 'se')", 2D, "averaged moreau-broto autocorrelation of lag 3 weighted by sanderson EN" 193, , AATS4se, ":py:class:`~mordred.Autocorrelation.AATS` (4, 'se')", 2D, "averaged moreau-broto autocorrelation of lag 4 weighted by sanderson EN" 194, , AATS5se, ":py:class:`~mordred.Autocorrelation.AATS` (5, 'se')", 2D, "averaged moreau-broto autocorrelation of lag 5 weighted by sanderson EN" 195, , AATS6se, ":py:class:`~mordred.Autocorrelation.AATS` (6, 'se')", 2D, "averaged moreau-broto autocorrelation of lag 6 weighted by sanderson EN" 196, , AATS7se, ":py:class:`~mordred.Autocorrelation.AATS` (7, 'se')", 2D, "averaged moreau-broto autocorrelation of lag 7 weighted by sanderson EN" 197, , AATS8se, ":py:class:`~mordred.Autocorrelation.AATS` (8, 'se')", 2D, "averaged moreau-broto autocorrelation of lag 8 weighted by sanderson EN" 198, , AATS0pe, ":py:class:`~mordred.Autocorrelation.AATS` (0, 'pe')", 2D, "averaged moreau-broto autocorrelation of lag 0 weighted by pauling EN" 199, , AATS1pe, ":py:class:`~mordred.Autocorrelation.AATS` (1, 'pe')", 2D, "averaged moreau-broto autocorrelation of lag 1 weighted by pauling EN" 200, , AATS2pe, ":py:class:`~mordred.Autocorrelation.AATS` (2, 'pe')", 2D, "averaged moreau-broto autocorrelation of lag 2 weighted by pauling EN" 201, , AATS3pe, ":py:class:`~mordred.Autocorrelation.AATS` (3, 'pe')", 2D, "averaged moreau-broto autocorrelation of lag 3 weighted by pauling EN" 202, , AATS4pe, ":py:class:`~mordred.Autocorrelation.AATS` (4, 'pe')", 2D, "averaged moreau-broto autocorrelation of lag 4 weighted by pauling EN" 203, , AATS5pe, ":py:class:`~mordred.Autocorrelation.AATS` (5, 'pe')", 2D, "averaged moreau-broto autocorrelation of lag 5 weighted by pauling EN" 204, , AATS6pe, ":py:class:`~mordred.Autocorrelation.AATS` (6, 'pe')", 2D, "averaged moreau-broto autocorrelation of lag 6 weighted by pauling EN" 205, , AATS7pe, ":py:class:`~mordred.Autocorrelation.AATS` (7, 'pe')", 2D, "averaged moreau-broto autocorrelation of lag 7 weighted by pauling EN" 206, , AATS8pe, ":py:class:`~mordred.Autocorrelation.AATS` (8, 'pe')", 2D, "averaged moreau-broto autocorrelation of lag 8 weighted by pauling EN" 207, , AATS0are, ":py:class:`~mordred.Autocorrelation.AATS` (0, 'are')", 2D, "averaged moreau-broto autocorrelation of lag 0 weighted by allred-rocow EN" 208, , AATS1are, ":py:class:`~mordred.Autocorrelation.AATS` (1, 'are')", 2D, "averaged moreau-broto autocorrelation of lag 1 weighted by allred-rocow EN" 209, , AATS2are, ":py:class:`~mordred.Autocorrelation.AATS` (2, 'are')", 2D, "averaged moreau-broto autocorrelation of lag 2 weighted by allred-rocow EN" 210, , AATS3are, ":py:class:`~mordred.Autocorrelation.AATS` (3, 'are')", 2D, "averaged moreau-broto autocorrelation of lag 3 weighted by allred-rocow EN" 211, , AATS4are, ":py:class:`~mordred.Autocorrelation.AATS` (4, 'are')", 2D, "averaged moreau-broto autocorrelation of lag 4 weighted by allred-rocow EN" 212, , AATS5are, ":py:class:`~mordred.Autocorrelation.AATS` (5, 'are')", 2D, "averaged moreau-broto autocorrelation of lag 5 weighted by allred-rocow EN" 213, , AATS6are, ":py:class:`~mordred.Autocorrelation.AATS` (6, 'are')", 2D, "averaged moreau-broto autocorrelation of lag 6 weighted by allred-rocow EN" 214, , AATS7are, ":py:class:`~mordred.Autocorrelation.AATS` (7, 'are')", 2D, "averaged moreau-broto autocorrelation of lag 7 weighted by allred-rocow EN" 215, , AATS8are, ":py:class:`~mordred.Autocorrelation.AATS` (8, 'are')", 2D, "averaged moreau-broto autocorrelation of lag 8 weighted by allred-rocow EN" 216, , AATS0p, ":py:class:`~mordred.Autocorrelation.AATS` (0, 'p')", 2D, "averaged moreau-broto autocorrelation of lag 0 weighted by polarizability" 217, , AATS1p, ":py:class:`~mordred.Autocorrelation.AATS` (1, 'p')", 2D, "averaged moreau-broto autocorrelation of lag 1 weighted by polarizability" 218, , AATS2p, ":py:class:`~mordred.Autocorrelation.AATS` (2, 'p')", 2D, "averaged moreau-broto autocorrelation of lag 2 weighted by polarizability" 219, , AATS3p, ":py:class:`~mordred.Autocorrelation.AATS` (3, 'p')", 2D, "averaged moreau-broto autocorrelation of lag 3 weighted by polarizability" 220, , AATS4p, ":py:class:`~mordred.Autocorrelation.AATS` (4, 'p')", 2D, "averaged moreau-broto autocorrelation of lag 4 weighted by polarizability" 221, , AATS5p, ":py:class:`~mordred.Autocorrelation.AATS` (5, 'p')", 2D, "averaged moreau-broto autocorrelation of lag 5 weighted by polarizability" 222, , AATS6p, ":py:class:`~mordred.Autocorrelation.AATS` (6, 'p')", 2D, "averaged moreau-broto autocorrelation of lag 6 weighted by polarizability" 223, , AATS7p, ":py:class:`~mordred.Autocorrelation.AATS` (7, 'p')", 2D, "averaged moreau-broto autocorrelation of lag 7 weighted by polarizability" 224, , AATS8p, ":py:class:`~mordred.Autocorrelation.AATS` (8, 'p')", 2D, "averaged moreau-broto autocorrelation of lag 8 weighted by polarizability" 225, , AATS0i, ":py:class:`~mordred.Autocorrelation.AATS` (0, 'i')", 2D, "averaged moreau-broto autocorrelation of lag 0 weighted by ionization potential" 226, , AATS1i, ":py:class:`~mordred.Autocorrelation.AATS` (1, 'i')", 2D, "averaged moreau-broto autocorrelation of lag 1 weighted by ionization potential" 227, , AATS2i, ":py:class:`~mordred.Autocorrelation.AATS` (2, 'i')", 2D, "averaged moreau-broto autocorrelation of lag 2 weighted by ionization potential" 228, , AATS3i, ":py:class:`~mordred.Autocorrelation.AATS` (3, 'i')", 2D, "averaged moreau-broto autocorrelation of lag 3 weighted by ionization potential" 229, , AATS4i, ":py:class:`~mordred.Autocorrelation.AATS` (4, 'i')", 2D, "averaged moreau-broto autocorrelation of lag 4 weighted by ionization potential" 230, , AATS5i, ":py:class:`~mordred.Autocorrelation.AATS` (5, 'i')", 2D, "averaged moreau-broto autocorrelation of lag 5 weighted by ionization potential" 231, , AATS6i, ":py:class:`~mordred.Autocorrelation.AATS` (6, 'i')", 2D, "averaged moreau-broto autocorrelation of lag 6 weighted by ionization potential" 232, , AATS7i, ":py:class:`~mordred.Autocorrelation.AATS` (7, 'i')", 2D, "averaged moreau-broto autocorrelation of lag 7 weighted by ionization potential" 233, , AATS8i, ":py:class:`~mordred.Autocorrelation.AATS` (8, 'i')", 2D, "averaged moreau-broto autocorrelation of lag 8 weighted by ionization potential" 234, , ATSC0c, ":py:class:`~mordred.Autocorrelation.ATSC` (0, 'c')", 2D, "centered moreau-broto autocorrelation of lag 0 weighted by gasteiger charge" 235, , ATSC1c, ":py:class:`~mordred.Autocorrelation.ATSC` (1, 'c')", 2D, "centered moreau-broto autocorrelation of lag 1 weighted by gasteiger charge" 236, , ATSC2c, ":py:class:`~mordred.Autocorrelation.ATSC` (2, 'c')", 2D, "centered moreau-broto autocorrelation of lag 2 weighted by gasteiger charge" 237, , ATSC3c, ":py:class:`~mordred.Autocorrelation.ATSC` (3, 'c')", 2D, "centered moreau-broto autocorrelation of lag 3 weighted by gasteiger charge" 238, , ATSC4c, ":py:class:`~mordred.Autocorrelation.ATSC` (4, 'c')", 2D, "centered moreau-broto autocorrelation of lag 4 weighted by gasteiger charge" 239, , ATSC5c, ":py:class:`~mordred.Autocorrelation.ATSC` (5, 'c')", 2D, "centered moreau-broto autocorrelation of lag 5 weighted by gasteiger charge" 240, , ATSC6c, ":py:class:`~mordred.Autocorrelation.ATSC` (6, 'c')", 2D, "centered moreau-broto autocorrelation of lag 6 weighted by gasteiger charge" 241, , ATSC7c, ":py:class:`~mordred.Autocorrelation.ATSC` (7, 'c')", 2D, "centered moreau-broto autocorrelation of lag 7 weighted by gasteiger charge" 242, , ATSC8c, ":py:class:`~mordred.Autocorrelation.ATSC` (8, 'c')", 2D, "centered moreau-broto autocorrelation of lag 8 weighted by gasteiger charge" 243, , ATSC0dv, ":py:class:`~mordred.Autocorrelation.ATSC` (0, 'dv')", 2D, "centered moreau-broto autocorrelation of lag 0 weighted by valence electrons" 244, , ATSC1dv, ":py:class:`~mordred.Autocorrelation.ATSC` (1, 'dv')", 2D, "centered moreau-broto autocorrelation of lag 1 weighted by valence electrons" 245, , ATSC2dv, ":py:class:`~mordred.Autocorrelation.ATSC` (2, 'dv')", 2D, "centered moreau-broto autocorrelation of lag 2 weighted by valence electrons" 246, , ATSC3dv, ":py:class:`~mordred.Autocorrelation.ATSC` (3, 'dv')", 2D, "centered moreau-broto autocorrelation of lag 3 weighted by valence electrons" 247, , ATSC4dv, ":py:class:`~mordred.Autocorrelation.ATSC` (4, 'dv')", 2D, "centered moreau-broto autocorrelation of lag 4 weighted by valence electrons" 248, , ATSC5dv, ":py:class:`~mordred.Autocorrelation.ATSC` (5, 'dv')", 2D, "centered moreau-broto autocorrelation of lag 5 weighted by valence electrons" 249, , ATSC6dv, ":py:class:`~mordred.Autocorrelation.ATSC` (6, 'dv')", 2D, "centered moreau-broto autocorrelation of lag 6 weighted by valence electrons" 250, , ATSC7dv, ":py:class:`~mordred.Autocorrelation.ATSC` (7, 'dv')", 2D, "centered moreau-broto autocorrelation of lag 7 weighted by valence electrons" 251, , ATSC8dv, ":py:class:`~mordred.Autocorrelation.ATSC` (8, 'dv')", 2D, "centered moreau-broto autocorrelation of lag 8 weighted by valence electrons" 252, , ATSC0d, ":py:class:`~mordred.Autocorrelation.ATSC` (0, 'd')", 2D, "centered moreau-broto autocorrelation of lag 0 weighted by sigma electrons" 253, , ATSC1d, ":py:class:`~mordred.Autocorrelation.ATSC` (1, 'd')", 2D, "centered moreau-broto autocorrelation of lag 1 weighted by sigma electrons" 254, , ATSC2d, ":py:class:`~mordred.Autocorrelation.ATSC` (2, 'd')", 2D, "centered moreau-broto autocorrelation of lag 2 weighted by sigma electrons" 255, , ATSC3d, ":py:class:`~mordred.Autocorrelation.ATSC` (3, 'd')", 2D, "centered moreau-broto autocorrelation of lag 3 weighted by sigma electrons" 256, , ATSC4d, ":py:class:`~mordred.Autocorrelation.ATSC` (4, 'd')", 2D, "centered moreau-broto autocorrelation of lag 4 weighted by sigma electrons" 257, , ATSC5d, ":py:class:`~mordred.Autocorrelation.ATSC` (5, 'd')", 2D, "centered moreau-broto autocorrelation of lag 5 weighted by sigma electrons" 258, , ATSC6d, ":py:class:`~mordred.Autocorrelation.ATSC` (6, 'd')", 2D, "centered moreau-broto autocorrelation of lag 6 weighted by sigma electrons" 259, , ATSC7d, ":py:class:`~mordred.Autocorrelation.ATSC` (7, 'd')", 2D, "centered moreau-broto autocorrelation of lag 7 weighted by sigma electrons" 260, , ATSC8d, ":py:class:`~mordred.Autocorrelation.ATSC` (8, 'd')", 2D, "centered moreau-broto autocorrelation of lag 8 weighted by sigma electrons" 261, , ATSC0s, ":py:class:`~mordred.Autocorrelation.ATSC` (0, 's')", 2D, "centered moreau-broto autocorrelation of lag 0 weighted by intrinsic state" 262, , ATSC1s, ":py:class:`~mordred.Autocorrelation.ATSC` (1, 's')", 2D, "centered moreau-broto autocorrelation of lag 1 weighted by intrinsic state" 263, , ATSC2s, ":py:class:`~mordred.Autocorrelation.ATSC` (2, 's')", 2D, "centered moreau-broto autocorrelation of lag 2 weighted by intrinsic state" 264, , ATSC3s, ":py:class:`~mordred.Autocorrelation.ATSC` (3, 's')", 2D, "centered moreau-broto autocorrelation of lag 3 weighted by intrinsic state" 265, , ATSC4s, ":py:class:`~mordred.Autocorrelation.ATSC` (4, 's')", 2D, "centered moreau-broto autocorrelation of lag 4 weighted by intrinsic state" 266, , ATSC5s, ":py:class:`~mordred.Autocorrelation.ATSC` (5, 's')", 2D, "centered moreau-broto autocorrelation of lag 5 weighted by intrinsic state" 267, , ATSC6s, ":py:class:`~mordred.Autocorrelation.ATSC` (6, 's')", 2D, "centered moreau-broto autocorrelation of lag 6 weighted by intrinsic state" 268, , ATSC7s, ":py:class:`~mordred.Autocorrelation.ATSC` (7, 's')", 2D, "centered moreau-broto autocorrelation of lag 7 weighted by intrinsic state" 269, , ATSC8s, ":py:class:`~mordred.Autocorrelation.ATSC` (8, 's')", 2D, "centered moreau-broto autocorrelation of lag 8 weighted by intrinsic state" 270, , ATSC0Z, ":py:class:`~mordred.Autocorrelation.ATSC` (0, 'Z')", 2D, "centered moreau-broto autocorrelation of lag 0 weighted by atomic number" 271, , ATSC1Z, ":py:class:`~mordred.Autocorrelation.ATSC` (1, 'Z')", 2D, "centered moreau-broto autocorrelation of lag 1 weighted by atomic number" 272, , ATSC2Z, ":py:class:`~mordred.Autocorrelation.ATSC` (2, 'Z')", 2D, "centered moreau-broto autocorrelation of lag 2 weighted by atomic number" 273, , ATSC3Z, ":py:class:`~mordred.Autocorrelation.ATSC` (3, 'Z')", 2D, "centered moreau-broto autocorrelation of lag 3 weighted by atomic number" 274, , ATSC4Z, ":py:class:`~mordred.Autocorrelation.ATSC` (4, 'Z')", 2D, "centered moreau-broto autocorrelation of lag 4 weighted by atomic number" 275, , ATSC5Z, ":py:class:`~mordred.Autocorrelation.ATSC` (5, 'Z')", 2D, "centered moreau-broto autocorrelation of lag 5 weighted by atomic number" 276, , ATSC6Z, ":py:class:`~mordred.Autocorrelation.ATSC` (6, 'Z')", 2D, "centered moreau-broto autocorrelation of lag 6 weighted by atomic number" 277, , ATSC7Z, ":py:class:`~mordred.Autocorrelation.ATSC` (7, 'Z')", 2D, "centered moreau-broto autocorrelation of lag 7 weighted by atomic number" 278, , ATSC8Z, ":py:class:`~mordred.Autocorrelation.ATSC` (8, 'Z')", 2D, "centered moreau-broto autocorrelation of lag 8 weighted by atomic number" 279, , ATSC0m, ":py:class:`~mordred.Autocorrelation.ATSC` (0, 'm')", 2D, "centered moreau-broto autocorrelation of lag 0 weighted by mass" 280, , ATSC1m, ":py:class:`~mordred.Autocorrelation.ATSC` (1, 'm')", 2D, "centered moreau-broto autocorrelation of lag 1 weighted by mass" 281, , ATSC2m, ":py:class:`~mordred.Autocorrelation.ATSC` (2, 'm')", 2D, "centered moreau-broto autocorrelation of lag 2 weighted by mass" 282, , ATSC3m, ":py:class:`~mordred.Autocorrelation.ATSC` (3, 'm')", 2D, "centered moreau-broto autocorrelation of lag 3 weighted by mass" 283, , ATSC4m, ":py:class:`~mordred.Autocorrelation.ATSC` (4, 'm')", 2D, "centered moreau-broto autocorrelation of lag 4 weighted by mass" 284, , ATSC5m, ":py:class:`~mordred.Autocorrelation.ATSC` (5, 'm')", 2D, "centered moreau-broto autocorrelation of lag 5 weighted by mass" 285, , ATSC6m, ":py:class:`~mordred.Autocorrelation.ATSC` (6, 'm')", 2D, "centered moreau-broto autocorrelation of lag 6 weighted by mass" 286, , ATSC7m, ":py:class:`~mordred.Autocorrelation.ATSC` (7, 'm')", 2D, "centered moreau-broto autocorrelation of lag 7 weighted by mass" 287, , ATSC8m, ":py:class:`~mordred.Autocorrelation.ATSC` (8, 'm')", 2D, "centered moreau-broto autocorrelation of lag 8 weighted by mass" 288, , ATSC0v, ":py:class:`~mordred.Autocorrelation.ATSC` (0, 'v')", 2D, "centered moreau-broto autocorrelation of lag 0 weighted by vdw volume" 289, , ATSC1v, ":py:class:`~mordred.Autocorrelation.ATSC` (1, 'v')", 2D, "centered moreau-broto autocorrelation of lag 1 weighted by vdw volume" 290, , ATSC2v, ":py:class:`~mordred.Autocorrelation.ATSC` (2, 'v')", 2D, "centered moreau-broto autocorrelation of lag 2 weighted by vdw volume" 291, , ATSC3v, ":py:class:`~mordred.Autocorrelation.ATSC` (3, 'v')", 2D, "centered moreau-broto autocorrelation of lag 3 weighted by vdw volume" 292, , ATSC4v, ":py:class:`~mordred.Autocorrelation.ATSC` (4, 'v')", 2D, "centered moreau-broto autocorrelation of lag 4 weighted by vdw volume" 293, , ATSC5v, ":py:class:`~mordred.Autocorrelation.ATSC` (5, 'v')", 2D, "centered moreau-broto autocorrelation of lag 5 weighted by vdw volume" 294, , ATSC6v, ":py:class:`~mordred.Autocorrelation.ATSC` (6, 'v')", 2D, "centered moreau-broto autocorrelation of lag 6 weighted by vdw volume" 295, , ATSC7v, ":py:class:`~mordred.Autocorrelation.ATSC` (7, 'v')", 2D, "centered moreau-broto autocorrelation of lag 7 weighted by vdw volume" 296, , ATSC8v, ":py:class:`~mordred.Autocorrelation.ATSC` (8, 'v')", 2D, "centered moreau-broto autocorrelation of lag 8 weighted by vdw volume" 297, , ATSC0se, ":py:class:`~mordred.Autocorrelation.ATSC` (0, 'se')", 2D, "centered moreau-broto autocorrelation of lag 0 weighted by sanderson EN" 298, , ATSC1se, ":py:class:`~mordred.Autocorrelation.ATSC` (1, 'se')", 2D, "centered moreau-broto autocorrelation of lag 1 weighted by sanderson EN" 299, , ATSC2se, ":py:class:`~mordred.Autocorrelation.ATSC` (2, 'se')", 2D, "centered moreau-broto autocorrelation of lag 2 weighted by sanderson EN" 300, , ATSC3se, ":py:class:`~mordred.Autocorrelation.ATSC` (3, 'se')", 2D, "centered moreau-broto autocorrelation of lag 3 weighted by sanderson EN" 301, , ATSC4se, ":py:class:`~mordred.Autocorrelation.ATSC` (4, 'se')", 2D, "centered moreau-broto autocorrelation of lag 4 weighted by sanderson EN" 302, , ATSC5se, ":py:class:`~mordred.Autocorrelation.ATSC` (5, 'se')", 2D, "centered moreau-broto autocorrelation of lag 5 weighted by sanderson EN" 303, , ATSC6se, ":py:class:`~mordred.Autocorrelation.ATSC` (6, 'se')", 2D, "centered moreau-broto autocorrelation of lag 6 weighted by sanderson EN" 304, , ATSC7se, ":py:class:`~mordred.Autocorrelation.ATSC` (7, 'se')", 2D, "centered moreau-broto autocorrelation of lag 7 weighted by sanderson EN" 305, , ATSC8se, ":py:class:`~mordred.Autocorrelation.ATSC` (8, 'se')", 2D, "centered moreau-broto autocorrelation of lag 8 weighted by sanderson EN" 306, , ATSC0pe, ":py:class:`~mordred.Autocorrelation.ATSC` (0, 'pe')", 2D, "centered moreau-broto autocorrelation of lag 0 weighted by pauling EN" 307, , ATSC1pe, ":py:class:`~mordred.Autocorrelation.ATSC` (1, 'pe')", 2D, "centered moreau-broto autocorrelation of lag 1 weighted by pauling EN" 308, , ATSC2pe, ":py:class:`~mordred.Autocorrelation.ATSC` (2, 'pe')", 2D, "centered moreau-broto autocorrelation of lag 2 weighted by pauling EN" 309, , ATSC3pe, ":py:class:`~mordred.Autocorrelation.ATSC` (3, 'pe')", 2D, "centered moreau-broto autocorrelation of lag 3 weighted by pauling EN" 310, , ATSC4pe, ":py:class:`~mordred.Autocorrelation.ATSC` (4, 'pe')", 2D, "centered moreau-broto autocorrelation of lag 4 weighted by pauling EN" 311, , ATSC5pe, ":py:class:`~mordred.Autocorrelation.ATSC` (5, 'pe')", 2D, "centered moreau-broto autocorrelation of lag 5 weighted by pauling EN" 312, , ATSC6pe, ":py:class:`~mordred.Autocorrelation.ATSC` (6, 'pe')", 2D, "centered moreau-broto autocorrelation of lag 6 weighted by pauling EN" 313, , ATSC7pe, ":py:class:`~mordred.Autocorrelation.ATSC` (7, 'pe')", 2D, "centered moreau-broto autocorrelation of lag 7 weighted by pauling EN" 314, , ATSC8pe, ":py:class:`~mordred.Autocorrelation.ATSC` (8, 'pe')", 2D, "centered moreau-broto autocorrelation of lag 8 weighted by pauling EN" 315, , ATSC0are, ":py:class:`~mordred.Autocorrelation.ATSC` (0, 'are')", 2D, "centered moreau-broto autocorrelation of lag 0 weighted by allred-rocow EN" 316, , ATSC1are, ":py:class:`~mordred.Autocorrelation.ATSC` (1, 'are')", 2D, "centered moreau-broto autocorrelation of lag 1 weighted by allred-rocow EN" 317, , ATSC2are, ":py:class:`~mordred.Autocorrelation.ATSC` (2, 'are')", 2D, "centered moreau-broto autocorrelation of lag 2 weighted by allred-rocow EN" 318, , ATSC3are, ":py:class:`~mordred.Autocorrelation.ATSC` (3, 'are')", 2D, "centered moreau-broto autocorrelation of lag 3 weighted by allred-rocow EN" 319, , ATSC4are, ":py:class:`~mordred.Autocorrelation.ATSC` (4, 'are')", 2D, "centered moreau-broto autocorrelation of lag 4 weighted by allred-rocow EN" 320, , ATSC5are, ":py:class:`~mordred.Autocorrelation.ATSC` (5, 'are')", 2D, "centered moreau-broto autocorrelation of lag 5 weighted by allred-rocow EN" 321, , ATSC6are, ":py:class:`~mordred.Autocorrelation.ATSC` (6, 'are')", 2D, "centered moreau-broto autocorrelation of lag 6 weighted by allred-rocow EN" 322, , ATSC7are, ":py:class:`~mordred.Autocorrelation.ATSC` (7, 'are')", 2D, "centered moreau-broto autocorrelation of lag 7 weighted by allred-rocow EN" 323, , ATSC8are, ":py:class:`~mordred.Autocorrelation.ATSC` (8, 'are')", 2D, "centered moreau-broto autocorrelation of lag 8 weighted by allred-rocow EN" 324, , ATSC0p, ":py:class:`~mordred.Autocorrelation.ATSC` (0, 'p')", 2D, "centered moreau-broto autocorrelation of lag 0 weighted by polarizability" 325, , ATSC1p, ":py:class:`~mordred.Autocorrelation.ATSC` (1, 'p')", 2D, "centered moreau-broto autocorrelation of lag 1 weighted by polarizability" 326, , ATSC2p, ":py:class:`~mordred.Autocorrelation.ATSC` (2, 'p')", 2D, "centered moreau-broto autocorrelation of lag 2 weighted by polarizability" 327, , ATSC3p, ":py:class:`~mordred.Autocorrelation.ATSC` (3, 'p')", 2D, "centered moreau-broto autocorrelation of lag 3 weighted by polarizability" 328, , ATSC4p, ":py:class:`~mordred.Autocorrelation.ATSC` (4, 'p')", 2D, "centered moreau-broto autocorrelation of lag 4 weighted by polarizability" 329, , ATSC5p, ":py:class:`~mordred.Autocorrelation.ATSC` (5, 'p')", 2D, "centered moreau-broto autocorrelation of lag 5 weighted by polarizability" 330, , ATSC6p, ":py:class:`~mordred.Autocorrelation.ATSC` (6, 'p')", 2D, "centered moreau-broto autocorrelation of lag 6 weighted by polarizability" 331, , ATSC7p, ":py:class:`~mordred.Autocorrelation.ATSC` (7, 'p')", 2D, "centered moreau-broto autocorrelation of lag 7 weighted by polarizability" 332, , ATSC8p, ":py:class:`~mordred.Autocorrelation.ATSC` (8, 'p')", 2D, "centered moreau-broto autocorrelation of lag 8 weighted by polarizability" 333, , ATSC0i, ":py:class:`~mordred.Autocorrelation.ATSC` (0, 'i')", 2D, "centered moreau-broto autocorrelation of lag 0 weighted by ionization potential" 334, , ATSC1i, ":py:class:`~mordred.Autocorrelation.ATSC` (1, 'i')", 2D, "centered moreau-broto autocorrelation of lag 1 weighted by ionization potential" 335, , ATSC2i, ":py:class:`~mordred.Autocorrelation.ATSC` (2, 'i')", 2D, "centered moreau-broto autocorrelation of lag 2 weighted by ionization potential" 336, , ATSC3i, ":py:class:`~mordred.Autocorrelation.ATSC` (3, 'i')", 2D, "centered moreau-broto autocorrelation of lag 3 weighted by ionization potential" 337, , ATSC4i, ":py:class:`~mordred.Autocorrelation.ATSC` (4, 'i')", 2D, "centered moreau-broto autocorrelation of lag 4 weighted by ionization potential" 338, , ATSC5i, ":py:class:`~mordred.Autocorrelation.ATSC` (5, 'i')", 2D, "centered moreau-broto autocorrelation of lag 5 weighted by ionization potential" 339, , ATSC6i, ":py:class:`~mordred.Autocorrelation.ATSC` (6, 'i')", 2D, "centered moreau-broto autocorrelation of lag 6 weighted by ionization potential" 340, , ATSC7i, ":py:class:`~mordred.Autocorrelation.ATSC` (7, 'i')", 2D, "centered moreau-broto autocorrelation of lag 7 weighted by ionization potential" 341, , ATSC8i, ":py:class:`~mordred.Autocorrelation.ATSC` (8, 'i')", 2D, "centered moreau-broto autocorrelation of lag 8 weighted by ionization potential" 342, , AATSC0c, ":py:class:`~mordred.Autocorrelation.AATSC` (0, 'c')", 2D, "averaged and centered moreau-broto autocorrelation of lag 0 weighted by gasteiger charge" 343, , AATSC1c, ":py:class:`~mordred.Autocorrelation.AATSC` (1, 'c')", 2D, "averaged and centered moreau-broto autocorrelation of lag 1 weighted by gasteiger charge" 344, , AATSC2c, ":py:class:`~mordred.Autocorrelation.AATSC` (2, 'c')", 2D, "averaged and centered moreau-broto autocorrelation of lag 2 weighted by gasteiger charge" 345, , AATSC3c, ":py:class:`~mordred.Autocorrelation.AATSC` (3, 'c')", 2D, "averaged and centered moreau-broto autocorrelation of lag 3 weighted by gasteiger charge" 346, , AATSC4c, ":py:class:`~mordred.Autocorrelation.AATSC` (4, 'c')", 2D, "averaged and centered moreau-broto autocorrelation of lag 4 weighted by gasteiger charge" 347, , AATSC5c, ":py:class:`~mordred.Autocorrelation.AATSC` (5, 'c')", 2D, "averaged and centered moreau-broto autocorrelation of lag 5 weighted by gasteiger charge" 348, , AATSC6c, ":py:class:`~mordred.Autocorrelation.AATSC` (6, 'c')", 2D, "averaged and centered moreau-broto autocorrelation of lag 6 weighted by gasteiger charge" 349, , AATSC7c, ":py:class:`~mordred.Autocorrelation.AATSC` (7, 'c')", 2D, "averaged and centered moreau-broto autocorrelation of lag 7 weighted by gasteiger charge" 350, , AATSC8c, ":py:class:`~mordred.Autocorrelation.AATSC` (8, 'c')", 2D, "averaged and centered moreau-broto autocorrelation of lag 8 weighted by gasteiger charge" 351, , AATSC0dv, ":py:class:`~mordred.Autocorrelation.AATSC` (0, 'dv')", 2D, "averaged and centered moreau-broto autocorrelation of lag 0 weighted by valence electrons" 352, , AATSC1dv, ":py:class:`~mordred.Autocorrelation.AATSC` (1, 'dv')", 2D, "averaged and centered moreau-broto autocorrelation of lag 1 weighted by valence electrons" 353, , AATSC2dv, ":py:class:`~mordred.Autocorrelation.AATSC` (2, 'dv')", 2D, "averaged and centered moreau-broto autocorrelation of lag 2 weighted by valence electrons" 354, , AATSC3dv, ":py:class:`~mordred.Autocorrelation.AATSC` (3, 'dv')", 2D, "averaged and centered moreau-broto autocorrelation of lag 3 weighted by valence electrons" 355, , AATSC4dv, ":py:class:`~mordred.Autocorrelation.AATSC` (4, 'dv')", 2D, "averaged and centered moreau-broto autocorrelation of lag 4 weighted by valence electrons" 356, , AATSC5dv, ":py:class:`~mordred.Autocorrelation.AATSC` (5, 'dv')", 2D, "averaged and centered moreau-broto autocorrelation of lag 5 weighted by valence electrons" 357, , AATSC6dv, ":py:class:`~mordred.Autocorrelation.AATSC` (6, 'dv')", 2D, "averaged and centered moreau-broto autocorrelation of lag 6 weighted by valence electrons" 358, , AATSC7dv, ":py:class:`~mordred.Autocorrelation.AATSC` (7, 'dv')", 2D, "averaged and centered moreau-broto autocorrelation of lag 7 weighted by valence electrons" 359, , AATSC8dv, ":py:class:`~mordred.Autocorrelation.AATSC` (8, 'dv')", 2D, "averaged and centered moreau-broto autocorrelation of lag 8 weighted by valence electrons" 360, , AATSC0d, ":py:class:`~mordred.Autocorrelation.AATSC` (0, 'd')", 2D, "averaged and centered moreau-broto autocorrelation of lag 0 weighted by sigma electrons" 361, , AATSC1d, ":py:class:`~mordred.Autocorrelation.AATSC` (1, 'd')", 2D, "averaged and centered moreau-broto autocorrelation of lag 1 weighted by sigma electrons" 362, , AATSC2d, ":py:class:`~mordred.Autocorrelation.AATSC` (2, 'd')", 2D, "averaged and centered moreau-broto autocorrelation of lag 2 weighted by sigma electrons" 363, , AATSC3d, ":py:class:`~mordred.Autocorrelation.AATSC` (3, 'd')", 2D, "averaged and centered moreau-broto autocorrelation of lag 3 weighted by sigma electrons" 364, , AATSC4d, ":py:class:`~mordred.Autocorrelation.AATSC` (4, 'd')", 2D, "averaged and centered moreau-broto autocorrelation of lag 4 weighted by sigma electrons" 365, , AATSC5d, ":py:class:`~mordred.Autocorrelation.AATSC` (5, 'd')", 2D, "averaged and centered moreau-broto autocorrelation of lag 5 weighted by sigma electrons" 366, , AATSC6d, ":py:class:`~mordred.Autocorrelation.AATSC` (6, 'd')", 2D, "averaged and centered moreau-broto autocorrelation of lag 6 weighted by sigma electrons" 367, , AATSC7d, ":py:class:`~mordred.Autocorrelation.AATSC` (7, 'd')", 2D, "averaged and centered moreau-broto autocorrelation of lag 7 weighted by sigma electrons" 368, , AATSC8d, ":py:class:`~mordred.Autocorrelation.AATSC` (8, 'd')", 2D, "averaged and centered moreau-broto autocorrelation of lag 8 weighted by sigma electrons" 369, , AATSC0s, ":py:class:`~mordred.Autocorrelation.AATSC` (0, 's')", 2D, "averaged and centered moreau-broto autocorrelation of lag 0 weighted by intrinsic state" 370, , AATSC1s, ":py:class:`~mordred.Autocorrelation.AATSC` (1, 's')", 2D, "averaged and centered moreau-broto autocorrelation of lag 1 weighted by intrinsic state" 371, , AATSC2s, ":py:class:`~mordred.Autocorrelation.AATSC` (2, 's')", 2D, "averaged and centered moreau-broto autocorrelation of lag 2 weighted by intrinsic state" 372, , AATSC3s, ":py:class:`~mordred.Autocorrelation.AATSC` (3, 's')", 2D, "averaged and centered moreau-broto autocorrelation of lag 3 weighted by intrinsic state" 373, , AATSC4s, ":py:class:`~mordred.Autocorrelation.AATSC` (4, 's')", 2D, "averaged and centered moreau-broto autocorrelation of lag 4 weighted by intrinsic state" 374, , AATSC5s, ":py:class:`~mordred.Autocorrelation.AATSC` (5, 's')", 2D, "averaged and centered moreau-broto autocorrelation of lag 5 weighted by intrinsic state" 375, , AATSC6s, ":py:class:`~mordred.Autocorrelation.AATSC` (6, 's')", 2D, "averaged and centered moreau-broto autocorrelation of lag 6 weighted by intrinsic state" 376, , AATSC7s, ":py:class:`~mordred.Autocorrelation.AATSC` (7, 's')", 2D, "averaged and centered moreau-broto autocorrelation of lag 7 weighted by intrinsic state" 377, , AATSC8s, ":py:class:`~mordred.Autocorrelation.AATSC` (8, 's')", 2D, "averaged and centered moreau-broto autocorrelation of lag 8 weighted by intrinsic state" 378, , AATSC0Z, ":py:class:`~mordred.Autocorrelation.AATSC` (0, 'Z')", 2D, "averaged and centered moreau-broto autocorrelation of lag 0 weighted by atomic number" 379, , AATSC1Z, ":py:class:`~mordred.Autocorrelation.AATSC` (1, 'Z')", 2D, "averaged and centered moreau-broto autocorrelation of lag 1 weighted by atomic number" 380, , AATSC2Z, ":py:class:`~mordred.Autocorrelation.AATSC` (2, 'Z')", 2D, "averaged and centered moreau-broto autocorrelation of lag 2 weighted by atomic number" 381, , AATSC3Z, ":py:class:`~mordred.Autocorrelation.AATSC` (3, 'Z')", 2D, "averaged and centered moreau-broto autocorrelation of lag 3 weighted by atomic number" 382, , AATSC4Z, ":py:class:`~mordred.Autocorrelation.AATSC` (4, 'Z')", 2D, "averaged and centered moreau-broto autocorrelation of lag 4 weighted by atomic number" 383, , AATSC5Z, ":py:class:`~mordred.Autocorrelation.AATSC` (5, 'Z')", 2D, "averaged and centered moreau-broto autocorrelation of lag 5 weighted by atomic number" 384, , AATSC6Z, ":py:class:`~mordred.Autocorrelation.AATSC` (6, 'Z')", 2D, "averaged and centered moreau-broto autocorrelation of lag 6 weighted by atomic number" 385, , AATSC7Z, ":py:class:`~mordred.Autocorrelation.AATSC` (7, 'Z')", 2D, "averaged and centered moreau-broto autocorrelation of lag 7 weighted by atomic number" 386, , AATSC8Z, ":py:class:`~mordred.Autocorrelation.AATSC` (8, 'Z')", 2D, "averaged and centered moreau-broto autocorrelation of lag 8 weighted by atomic number" 387, , AATSC0m, ":py:class:`~mordred.Autocorrelation.AATSC` (0, 'm')", 2D, "averaged and centered moreau-broto autocorrelation of lag 0 weighted by mass" 388, , AATSC1m, ":py:class:`~mordred.Autocorrelation.AATSC` (1, 'm')", 2D, "averaged and centered moreau-broto autocorrelation of lag 1 weighted by mass" 389, , AATSC2m, ":py:class:`~mordred.Autocorrelation.AATSC` (2, 'm')", 2D, "averaged and centered moreau-broto autocorrelation of lag 2 weighted by mass" 390, , AATSC3m, ":py:class:`~mordred.Autocorrelation.AATSC` (3, 'm')", 2D, "averaged and centered moreau-broto autocorrelation of lag 3 weighted by mass" 391, , AATSC4m, ":py:class:`~mordred.Autocorrelation.AATSC` (4, 'm')", 2D, "averaged and centered moreau-broto autocorrelation of lag 4 weighted by mass" 392, , AATSC5m, ":py:class:`~mordred.Autocorrelation.AATSC` (5, 'm')", 2D, "averaged and centered moreau-broto autocorrelation of lag 5 weighted by mass" 393, , AATSC6m, ":py:class:`~mordred.Autocorrelation.AATSC` (6, 'm')", 2D, "averaged and centered moreau-broto autocorrelation of lag 6 weighted by mass" 394, , AATSC7m, ":py:class:`~mordred.Autocorrelation.AATSC` (7, 'm')", 2D, "averaged and centered moreau-broto autocorrelation of lag 7 weighted by mass" 395, , AATSC8m, ":py:class:`~mordred.Autocorrelation.AATSC` (8, 'm')", 2D, "averaged and centered moreau-broto autocorrelation of lag 8 weighted by mass" 396, , AATSC0v, ":py:class:`~mordred.Autocorrelation.AATSC` (0, 'v')", 2D, "averaged and centered moreau-broto autocorrelation of lag 0 weighted by vdw volume" 397, , AATSC1v, ":py:class:`~mordred.Autocorrelation.AATSC` (1, 'v')", 2D, "averaged and centered moreau-broto autocorrelation of lag 1 weighted by vdw volume" 398, , AATSC2v, ":py:class:`~mordred.Autocorrelation.AATSC` (2, 'v')", 2D, "averaged and centered moreau-broto autocorrelation of lag 2 weighted by vdw volume" 399, , AATSC3v, ":py:class:`~mordred.Autocorrelation.AATSC` (3, 'v')", 2D, "averaged and centered moreau-broto autocorrelation of lag 3 weighted by vdw volume" 400, , AATSC4v, ":py:class:`~mordred.Autocorrelation.AATSC` (4, 'v')", 2D, "averaged and centered moreau-broto autocorrelation of lag 4 weighted by vdw volume" 401, , AATSC5v, ":py:class:`~mordred.Autocorrelation.AATSC` (5, 'v')", 2D, "averaged and centered moreau-broto autocorrelation of lag 5 weighted by vdw volume" 402, , AATSC6v, ":py:class:`~mordred.Autocorrelation.AATSC` (6, 'v')", 2D, "averaged and centered moreau-broto autocorrelation of lag 6 weighted by vdw volume" 403, , AATSC7v, ":py:class:`~mordred.Autocorrelation.AATSC` (7, 'v')", 2D, "averaged and centered moreau-broto autocorrelation of lag 7 weighted by vdw volume" 404, , AATSC8v, ":py:class:`~mordred.Autocorrelation.AATSC` (8, 'v')", 2D, "averaged and centered moreau-broto autocorrelation of lag 8 weighted by vdw volume" 405, , AATSC0se, ":py:class:`~mordred.Autocorrelation.AATSC` (0, 'se')", 2D, "averaged and centered moreau-broto autocorrelation of lag 0 weighted by sanderson EN" 406, , AATSC1se, ":py:class:`~mordred.Autocorrelation.AATSC` (1, 'se')", 2D, "averaged and centered moreau-broto autocorrelation of lag 1 weighted by sanderson EN" 407, , AATSC2se, ":py:class:`~mordred.Autocorrelation.AATSC` (2, 'se')", 2D, "averaged and centered moreau-broto autocorrelation of lag 2 weighted by sanderson EN" 408, , AATSC3se, ":py:class:`~mordred.Autocorrelation.AATSC` (3, 'se')", 2D, "averaged and centered moreau-broto autocorrelation of lag 3 weighted by sanderson EN" 409, , AATSC4se, ":py:class:`~mordred.Autocorrelation.AATSC` (4, 'se')", 2D, "averaged and centered moreau-broto autocorrelation of lag 4 weighted by sanderson EN" 410, , AATSC5se, ":py:class:`~mordred.Autocorrelation.AATSC` (5, 'se')", 2D, "averaged and centered moreau-broto autocorrelation of lag 5 weighted by sanderson EN" 411, , AATSC6se, ":py:class:`~mordred.Autocorrelation.AATSC` (6, 'se')", 2D, "averaged and centered moreau-broto autocorrelation of lag 6 weighted by sanderson EN" 412, , AATSC7se, ":py:class:`~mordred.Autocorrelation.AATSC` (7, 'se')", 2D, "averaged and centered moreau-broto autocorrelation of lag 7 weighted by sanderson EN" 413, , AATSC8se, ":py:class:`~mordred.Autocorrelation.AATSC` (8, 'se')", 2D, "averaged and centered moreau-broto autocorrelation of lag 8 weighted by sanderson EN" 414, , AATSC0pe, ":py:class:`~mordred.Autocorrelation.AATSC` (0, 'pe')", 2D, "averaged and centered moreau-broto autocorrelation of lag 0 weighted by pauling EN" 415, , AATSC1pe, ":py:class:`~mordred.Autocorrelation.AATSC` (1, 'pe')", 2D, "averaged and centered moreau-broto autocorrelation of lag 1 weighted by pauling EN" 416, , AATSC2pe, ":py:class:`~mordred.Autocorrelation.AATSC` (2, 'pe')", 2D, "averaged and centered moreau-broto autocorrelation of lag 2 weighted by pauling EN" 417, , AATSC3pe, ":py:class:`~mordred.Autocorrelation.AATSC` (3, 'pe')", 2D, "averaged and centered moreau-broto autocorrelation of lag 3 weighted by pauling EN" 418, , AATSC4pe, ":py:class:`~mordred.Autocorrelation.AATSC` (4, 'pe')", 2D, "averaged and centered moreau-broto autocorrelation of lag 4 weighted by pauling EN" 419, , AATSC5pe, ":py:class:`~mordred.Autocorrelation.AATSC` (5, 'pe')", 2D, "averaged and centered moreau-broto autocorrelation of lag 5 weighted by pauling EN" 420, , AATSC6pe, ":py:class:`~mordred.Autocorrelation.AATSC` (6, 'pe')", 2D, "averaged and centered moreau-broto autocorrelation of lag 6 weighted by pauling EN" 421, , AATSC7pe, ":py:class:`~mordred.Autocorrelation.AATSC` (7, 'pe')", 2D, "averaged and centered moreau-broto autocorrelation of lag 7 weighted by pauling EN" 422, , AATSC8pe, ":py:class:`~mordred.Autocorrelation.AATSC` (8, 'pe')", 2D, "averaged and centered moreau-broto autocorrelation of lag 8 weighted by pauling EN" 423, , AATSC0are, ":py:class:`~mordred.Autocorrelation.AATSC` (0, 'are')", 2D, "averaged and centered moreau-broto autocorrelation of lag 0 weighted by allred-rocow EN" 424, , AATSC1are, ":py:class:`~mordred.Autocorrelation.AATSC` (1, 'are')", 2D, "averaged and centered moreau-broto autocorrelation of lag 1 weighted by allred-rocow EN" 425, , AATSC2are, ":py:class:`~mordred.Autocorrelation.AATSC` (2, 'are')", 2D, "averaged and centered moreau-broto autocorrelation of lag 2 weighted by allred-rocow EN" 426, , AATSC3are, ":py:class:`~mordred.Autocorrelation.AATSC` (3, 'are')", 2D, "averaged and centered moreau-broto autocorrelation of lag 3 weighted by allred-rocow EN" 427, , AATSC4are, ":py:class:`~mordred.Autocorrelation.AATSC` (4, 'are')", 2D, "averaged and centered moreau-broto autocorrelation of lag 4 weighted by allred-rocow EN" 428, , AATSC5are, ":py:class:`~mordred.Autocorrelation.AATSC` (5, 'are')", 2D, "averaged and centered moreau-broto autocorrelation of lag 5 weighted by allred-rocow EN" 429, , AATSC6are, ":py:class:`~mordred.Autocorrelation.AATSC` (6, 'are')", 2D, "averaged and centered moreau-broto autocorrelation of lag 6 weighted by allred-rocow EN" 430, , AATSC7are, ":py:class:`~mordred.Autocorrelation.AATSC` (7, 'are')", 2D, "averaged and centered moreau-broto autocorrelation of lag 7 weighted by allred-rocow EN" 431, , AATSC8are, ":py:class:`~mordred.Autocorrelation.AATSC` (8, 'are')", 2D, "averaged and centered moreau-broto autocorrelation of lag 8 weighted by allred-rocow EN" 432, , AATSC0p, ":py:class:`~mordred.Autocorrelation.AATSC` (0, 'p')", 2D, "averaged and centered moreau-broto autocorrelation of lag 0 weighted by polarizability" 433, , AATSC1p, ":py:class:`~mordred.Autocorrelation.AATSC` (1, 'p')", 2D, "averaged and centered moreau-broto autocorrelation of lag 1 weighted by polarizability" 434, , AATSC2p, ":py:class:`~mordred.Autocorrelation.AATSC` (2, 'p')", 2D, "averaged and centered moreau-broto autocorrelation of lag 2 weighted by polarizability" 435, , AATSC3p, ":py:class:`~mordred.Autocorrelation.AATSC` (3, 'p')", 2D, "averaged and centered moreau-broto autocorrelation of lag 3 weighted by polarizability" 436, , AATSC4p, ":py:class:`~mordred.Autocorrelation.AATSC` (4, 'p')", 2D, "averaged and centered moreau-broto autocorrelation of lag 4 weighted by polarizability" 437, , AATSC5p, ":py:class:`~mordred.Autocorrelation.AATSC` (5, 'p')", 2D, "averaged and centered moreau-broto autocorrelation of lag 5 weighted by polarizability" 438, , AATSC6p, ":py:class:`~mordred.Autocorrelation.AATSC` (6, 'p')", 2D, "averaged and centered moreau-broto autocorrelation of lag 6 weighted by polarizability" 439, , AATSC7p, ":py:class:`~mordred.Autocorrelation.AATSC` (7, 'p')", 2D, "averaged and centered moreau-broto autocorrelation of lag 7 weighted by polarizability" 440, , AATSC8p, ":py:class:`~mordred.Autocorrelation.AATSC` (8, 'p')", 2D, "averaged and centered moreau-broto autocorrelation of lag 8 weighted by polarizability" 441, , AATSC0i, ":py:class:`~mordred.Autocorrelation.AATSC` (0, 'i')", 2D, "averaged and centered moreau-broto autocorrelation of lag 0 weighted by ionization potential" 442, , AATSC1i, ":py:class:`~mordred.Autocorrelation.AATSC` (1, 'i')", 2D, "averaged and centered moreau-broto autocorrelation of lag 1 weighted by ionization potential" 443, , AATSC2i, ":py:class:`~mordred.Autocorrelation.AATSC` (2, 'i')", 2D, "averaged and centered moreau-broto autocorrelation of lag 2 weighted by ionization potential" 444, , AATSC3i, ":py:class:`~mordred.Autocorrelation.AATSC` (3, 'i')", 2D, "averaged and centered moreau-broto autocorrelation of lag 3 weighted by ionization potential" 445, , AATSC4i, ":py:class:`~mordred.Autocorrelation.AATSC` (4, 'i')", 2D, "averaged and centered moreau-broto autocorrelation of lag 4 weighted by ionization potential" 446, , AATSC5i, ":py:class:`~mordred.Autocorrelation.AATSC` (5, 'i')", 2D, "averaged and centered moreau-broto autocorrelation of lag 5 weighted by ionization potential" 447, , AATSC6i, ":py:class:`~mordred.Autocorrelation.AATSC` (6, 'i')", 2D, "averaged and centered moreau-broto autocorrelation of lag 6 weighted by ionization potential" 448, , AATSC7i, ":py:class:`~mordred.Autocorrelation.AATSC` (7, 'i')", 2D, "averaged and centered moreau-broto autocorrelation of lag 7 weighted by ionization potential" 449, , AATSC8i, ":py:class:`~mordred.Autocorrelation.AATSC` (8, 'i')", 2D, "averaged and centered moreau-broto autocorrelation of lag 8 weighted by ionization potential" 450, , MATS1c, ":py:class:`~mordred.Autocorrelation.MATS` (1, 'c')", 2D, "moran coefficient of lag 1 weighted by gasteiger charge" 451, , MATS2c, ":py:class:`~mordred.Autocorrelation.MATS` (2, 'c')", 2D, "moran coefficient of lag 2 weighted by gasteiger charge" 452, , MATS3c, ":py:class:`~mordred.Autocorrelation.MATS` (3, 'c')", 2D, "moran coefficient of lag 3 weighted by gasteiger charge" 453, , MATS4c, ":py:class:`~mordred.Autocorrelation.MATS` (4, 'c')", 2D, "moran coefficient of lag 4 weighted by gasteiger charge" 454, , MATS5c, ":py:class:`~mordred.Autocorrelation.MATS` (5, 'c')", 2D, "moran coefficient of lag 5 weighted by gasteiger charge" 455, , MATS6c, ":py:class:`~mordred.Autocorrelation.MATS` (6, 'c')", 2D, "moran coefficient of lag 6 weighted by gasteiger charge" 456, , MATS7c, ":py:class:`~mordred.Autocorrelation.MATS` (7, 'c')", 2D, "moran coefficient of lag 7 weighted by gasteiger charge" 457, , MATS8c, ":py:class:`~mordred.Autocorrelation.MATS` (8, 'c')", 2D, "moran coefficient of lag 8 weighted by gasteiger charge" 458, , MATS1dv, ":py:class:`~mordred.Autocorrelation.MATS` (1, 'dv')", 2D, "moran coefficient of lag 1 weighted by valence electrons" 459, , MATS2dv, ":py:class:`~mordred.Autocorrelation.MATS` (2, 'dv')", 2D, "moran coefficient of lag 2 weighted by valence electrons" 460, , MATS3dv, ":py:class:`~mordred.Autocorrelation.MATS` (3, 'dv')", 2D, "moran coefficient of lag 3 weighted by valence electrons" 461, , MATS4dv, ":py:class:`~mordred.Autocorrelation.MATS` (4, 'dv')", 2D, "moran coefficient of lag 4 weighted by valence electrons" 462, , MATS5dv, ":py:class:`~mordred.Autocorrelation.MATS` (5, 'dv')", 2D, "moran coefficient of lag 5 weighted by valence electrons" 463, , MATS6dv, ":py:class:`~mordred.Autocorrelation.MATS` (6, 'dv')", 2D, "moran coefficient of lag 6 weighted by valence electrons" 464, , MATS7dv, ":py:class:`~mordred.Autocorrelation.MATS` (7, 'dv')", 2D, "moran coefficient of lag 7 weighted by valence electrons" 465, , MATS8dv, ":py:class:`~mordred.Autocorrelation.MATS` (8, 'dv')", 2D, "moran coefficient of lag 8 weighted by valence electrons" 466, , MATS1d, ":py:class:`~mordred.Autocorrelation.MATS` (1, 'd')", 2D, "moran coefficient of lag 1 weighted by sigma electrons" 467, , MATS2d, ":py:class:`~mordred.Autocorrelation.MATS` (2, 'd')", 2D, "moran coefficient of lag 2 weighted by sigma electrons" 468, , MATS3d, ":py:class:`~mordred.Autocorrelation.MATS` (3, 'd')", 2D, "moran coefficient of lag 3 weighted by sigma electrons" 469, , MATS4d, ":py:class:`~mordred.Autocorrelation.MATS` (4, 'd')", 2D, "moran coefficient of lag 4 weighted by sigma electrons" 470, , MATS5d, ":py:class:`~mordred.Autocorrelation.MATS` (5, 'd')", 2D, "moran coefficient of lag 5 weighted by sigma electrons" 471, , MATS6d, ":py:class:`~mordred.Autocorrelation.MATS` (6, 'd')", 2D, "moran coefficient of lag 6 weighted by sigma electrons" 472, , MATS7d, ":py:class:`~mordred.Autocorrelation.MATS` (7, 'd')", 2D, "moran coefficient of lag 7 weighted by sigma electrons" 473, , MATS8d, ":py:class:`~mordred.Autocorrelation.MATS` (8, 'd')", 2D, "moran coefficient of lag 8 weighted by sigma electrons" 474, , MATS1s, ":py:class:`~mordred.Autocorrelation.MATS` (1, 's')", 2D, "moran coefficient of lag 1 weighted by intrinsic state" 475, , MATS2s, ":py:class:`~mordred.Autocorrelation.MATS` (2, 's')", 2D, "moran coefficient of lag 2 weighted by intrinsic state" 476, , MATS3s, ":py:class:`~mordred.Autocorrelation.MATS` (3, 's')", 2D, "moran coefficient of lag 3 weighted by intrinsic state" 477, , MATS4s, ":py:class:`~mordred.Autocorrelation.MATS` (4, 's')", 2D, "moran coefficient of lag 4 weighted by intrinsic state" 478, , MATS5s, ":py:class:`~mordred.Autocorrelation.MATS` (5, 's')", 2D, "moran coefficient of lag 5 weighted by intrinsic state" 479, , MATS6s, ":py:class:`~mordred.Autocorrelation.MATS` (6, 's')", 2D, "moran coefficient of lag 6 weighted by intrinsic state" 480, , MATS7s, ":py:class:`~mordred.Autocorrelation.MATS` (7, 's')", 2D, "moran coefficient of lag 7 weighted by intrinsic state" 481, , MATS8s, ":py:class:`~mordred.Autocorrelation.MATS` (8, 's')", 2D, "moran coefficient of lag 8 weighted by intrinsic state" 482, , MATS1Z, ":py:class:`~mordred.Autocorrelation.MATS` (1, 'Z')", 2D, "moran coefficient of lag 1 weighted by atomic number" 483, , MATS2Z, ":py:class:`~mordred.Autocorrelation.MATS` (2, 'Z')", 2D, "moran coefficient of lag 2 weighted by atomic number" 484, , MATS3Z, ":py:class:`~mordred.Autocorrelation.MATS` (3, 'Z')", 2D, "moran coefficient of lag 3 weighted by atomic number" 485, , MATS4Z, ":py:class:`~mordred.Autocorrelation.MATS` (4, 'Z')", 2D, "moran coefficient of lag 4 weighted by atomic number" 486, , MATS5Z, ":py:class:`~mordred.Autocorrelation.MATS` (5, 'Z')", 2D, "moran coefficient of lag 5 weighted by atomic number" 487, , MATS6Z, ":py:class:`~mordred.Autocorrelation.MATS` (6, 'Z')", 2D, "moran coefficient of lag 6 weighted by atomic number" 488, , MATS7Z, ":py:class:`~mordred.Autocorrelation.MATS` (7, 'Z')", 2D, "moran coefficient of lag 7 weighted by atomic number" 489, , MATS8Z, ":py:class:`~mordred.Autocorrelation.MATS` (8, 'Z')", 2D, "moran coefficient of lag 8 weighted by atomic number" 490, , MATS1m, ":py:class:`~mordred.Autocorrelation.MATS` (1, 'm')", 2D, "moran coefficient of lag 1 weighted by mass" 491, , MATS2m, ":py:class:`~mordred.Autocorrelation.MATS` (2, 'm')", 2D, "moran coefficient of lag 2 weighted by mass" 492, , MATS3m, ":py:class:`~mordred.Autocorrelation.MATS` (3, 'm')", 2D, "moran coefficient of lag 3 weighted by mass" 493, , MATS4m, ":py:class:`~mordred.Autocorrelation.MATS` (4, 'm')", 2D, "moran coefficient of lag 4 weighted by mass" 494, , MATS5m, ":py:class:`~mordred.Autocorrelation.MATS` (5, 'm')", 2D, "moran coefficient of lag 5 weighted by mass" 495, , MATS6m, ":py:class:`~mordred.Autocorrelation.MATS` (6, 'm')", 2D, "moran coefficient of lag 6 weighted by mass" 496, , MATS7m, ":py:class:`~mordred.Autocorrelation.MATS` (7, 'm')", 2D, "moran coefficient of lag 7 weighted by mass" 497, , MATS8m, ":py:class:`~mordred.Autocorrelation.MATS` (8, 'm')", 2D, "moran coefficient of lag 8 weighted by mass" 498, , MATS1v, ":py:class:`~mordred.Autocorrelation.MATS` (1, 'v')", 2D, "moran coefficient of lag 1 weighted by vdw volume" 499, , MATS2v, ":py:class:`~mordred.Autocorrelation.MATS` (2, 'v')", 2D, "moran coefficient of lag 2 weighted by vdw volume" 500, , MATS3v, ":py:class:`~mordred.Autocorrelation.MATS` (3, 'v')", 2D, "moran coefficient of lag 3 weighted by vdw volume" 501, , MATS4v, ":py:class:`~mordred.Autocorrelation.MATS` (4, 'v')", 2D, "moran coefficient of lag 4 weighted by vdw volume" 502, , MATS5v, ":py:class:`~mordred.Autocorrelation.MATS` (5, 'v')", 2D, "moran coefficient of lag 5 weighted by vdw volume" 503, , MATS6v, ":py:class:`~mordred.Autocorrelation.MATS` (6, 'v')", 2D, "moran coefficient of lag 6 weighted by vdw volume" 504, , MATS7v, ":py:class:`~mordred.Autocorrelation.MATS` (7, 'v')", 2D, "moran coefficient of lag 7 weighted by vdw volume" 505, , MATS8v, ":py:class:`~mordred.Autocorrelation.MATS` (8, 'v')", 2D, "moran coefficient of lag 8 weighted by vdw volume" 506, , MATS1se, ":py:class:`~mordred.Autocorrelation.MATS` (1, 'se')", 2D, "moran coefficient of lag 1 weighted by sanderson EN" 507, , MATS2se, ":py:class:`~mordred.Autocorrelation.MATS` (2, 'se')", 2D, "moran coefficient of lag 2 weighted by sanderson EN" 508, , MATS3se, ":py:class:`~mordred.Autocorrelation.MATS` (3, 'se')", 2D, "moran coefficient of lag 3 weighted by sanderson EN" 509, , MATS4se, ":py:class:`~mordred.Autocorrelation.MATS` (4, 'se')", 2D, "moran coefficient of lag 4 weighted by sanderson EN" 510, , MATS5se, ":py:class:`~mordred.Autocorrelation.MATS` (5, 'se')", 2D, "moran coefficient of lag 5 weighted by sanderson EN" 511, , MATS6se, ":py:class:`~mordred.Autocorrelation.MATS` (6, 'se')", 2D, "moran coefficient of lag 6 weighted by sanderson EN" 512, , MATS7se, ":py:class:`~mordred.Autocorrelation.MATS` (7, 'se')", 2D, "moran coefficient of lag 7 weighted by sanderson EN" 513, , MATS8se, ":py:class:`~mordred.Autocorrelation.MATS` (8, 'se')", 2D, "moran coefficient of lag 8 weighted by sanderson EN" 514, , MATS1pe, ":py:class:`~mordred.Autocorrelation.MATS` (1, 'pe')", 2D, "moran coefficient of lag 1 weighted by pauling EN" 515, , MATS2pe, ":py:class:`~mordred.Autocorrelation.MATS` (2, 'pe')", 2D, "moran coefficient of lag 2 weighted by pauling EN" 516, , MATS3pe, ":py:class:`~mordred.Autocorrelation.MATS` (3, 'pe')", 2D, "moran coefficient of lag 3 weighted by pauling EN" 517, , MATS4pe, ":py:class:`~mordred.Autocorrelation.MATS` (4, 'pe')", 2D, "moran coefficient of lag 4 weighted by pauling EN" 518, , MATS5pe, ":py:class:`~mordred.Autocorrelation.MATS` (5, 'pe')", 2D, "moran coefficient of lag 5 weighted by pauling EN" 519, , MATS6pe, ":py:class:`~mordred.Autocorrelation.MATS` (6, 'pe')", 2D, "moran coefficient of lag 6 weighted by pauling EN" 520, , MATS7pe, ":py:class:`~mordred.Autocorrelation.MATS` (7, 'pe')", 2D, "moran coefficient of lag 7 weighted by pauling EN" 521, , MATS8pe, ":py:class:`~mordred.Autocorrelation.MATS` (8, 'pe')", 2D, "moran coefficient of lag 8 weighted by pauling EN" 522, , MATS1are, ":py:class:`~mordred.Autocorrelation.MATS` (1, 'are')", 2D, "moran coefficient of lag 1 weighted by allred-rocow EN" 523, , MATS2are, ":py:class:`~mordred.Autocorrelation.MATS` (2, 'are')", 2D, "moran coefficient of lag 2 weighted by allred-rocow EN" 524, , MATS3are, ":py:class:`~mordred.Autocorrelation.MATS` (3, 'are')", 2D, "moran coefficient of lag 3 weighted by allred-rocow EN" 525, , MATS4are, ":py:class:`~mordred.Autocorrelation.MATS` (4, 'are')", 2D, "moran coefficient of lag 4 weighted by allred-rocow EN" 526, , MATS5are, ":py:class:`~mordred.Autocorrelation.MATS` (5, 'are')", 2D, "moran coefficient of lag 5 weighted by allred-rocow EN" 527, , MATS6are, ":py:class:`~mordred.Autocorrelation.MATS` (6, 'are')", 2D, "moran coefficient of lag 6 weighted by allred-rocow EN" 528, , MATS7are, ":py:class:`~mordred.Autocorrelation.MATS` (7, 'are')", 2D, "moran coefficient of lag 7 weighted by allred-rocow EN" 529, , MATS8are, ":py:class:`~mordred.Autocorrelation.MATS` (8, 'are')", 2D, "moran coefficient of lag 8 weighted by allred-rocow EN" 530, , MATS1p, ":py:class:`~mordred.Autocorrelation.MATS` (1, 'p')", 2D, "moran coefficient of lag 1 weighted by polarizability" 531, , MATS2p, ":py:class:`~mordred.Autocorrelation.MATS` (2, 'p')", 2D, "moran coefficient of lag 2 weighted by polarizability" 532, , MATS3p, ":py:class:`~mordred.Autocorrelation.MATS` (3, 'p')", 2D, "moran coefficient of lag 3 weighted by polarizability" 533, , MATS4p, ":py:class:`~mordred.Autocorrelation.MATS` (4, 'p')", 2D, "moran coefficient of lag 4 weighted by polarizability" 534, , MATS5p, ":py:class:`~mordred.Autocorrelation.MATS` (5, 'p')", 2D, "moran coefficient of lag 5 weighted by polarizability" 535, , MATS6p, ":py:class:`~mordred.Autocorrelation.MATS` (6, 'p')", 2D, "moran coefficient of lag 6 weighted by polarizability" 536, , MATS7p, ":py:class:`~mordred.Autocorrelation.MATS` (7, 'p')", 2D, "moran coefficient of lag 7 weighted by polarizability" 537, , MATS8p, ":py:class:`~mordred.Autocorrelation.MATS` (8, 'p')", 2D, "moran coefficient of lag 8 weighted by polarizability" 538, , MATS1i, ":py:class:`~mordred.Autocorrelation.MATS` (1, 'i')", 2D, "moran coefficient of lag 1 weighted by ionization potential" 539, , MATS2i, ":py:class:`~mordred.Autocorrelation.MATS` (2, 'i')", 2D, "moran coefficient of lag 2 weighted by ionization potential" 540, , MATS3i, ":py:class:`~mordred.Autocorrelation.MATS` (3, 'i')", 2D, "moran coefficient of lag 3 weighted by ionization potential" 541, , MATS4i, ":py:class:`~mordred.Autocorrelation.MATS` (4, 'i')", 2D, "moran coefficient of lag 4 weighted by ionization potential" 542, , MATS5i, ":py:class:`~mordred.Autocorrelation.MATS` (5, 'i')", 2D, "moran coefficient of lag 5 weighted by ionization potential" 543, , MATS6i, ":py:class:`~mordred.Autocorrelation.MATS` (6, 'i')", 2D, "moran coefficient of lag 6 weighted by ionization potential" 544, , MATS7i, ":py:class:`~mordred.Autocorrelation.MATS` (7, 'i')", 2D, "moran coefficient of lag 7 weighted by ionization potential" 545, , MATS8i, ":py:class:`~mordred.Autocorrelation.MATS` (8, 'i')", 2D, "moran coefficient of lag 8 weighted by ionization potential" 546, , GATS1c, ":py:class:`~mordred.Autocorrelation.GATS` (1, 'c')", 2D, "geary coefficient of lag 1 weighted by gasteiger charge" 547, , GATS2c, ":py:class:`~mordred.Autocorrelation.GATS` (2, 'c')", 2D, "geary coefficient of lag 2 weighted by gasteiger charge" 548, , GATS3c, ":py:class:`~mordred.Autocorrelation.GATS` (3, 'c')", 2D, "geary coefficient of lag 3 weighted by gasteiger charge" 549, , GATS4c, ":py:class:`~mordred.Autocorrelation.GATS` (4, 'c')", 2D, "geary coefficient of lag 4 weighted by gasteiger charge" 550, , GATS5c, ":py:class:`~mordred.Autocorrelation.GATS` (5, 'c')", 2D, "geary coefficient of lag 5 weighted by gasteiger charge" 551, , GATS6c, ":py:class:`~mordred.Autocorrelation.GATS` (6, 'c')", 2D, "geary coefficient of lag 6 weighted by gasteiger charge" 552, , GATS7c, ":py:class:`~mordred.Autocorrelation.GATS` (7, 'c')", 2D, "geary coefficient of lag 7 weighted by gasteiger charge" 553, , GATS8c, ":py:class:`~mordred.Autocorrelation.GATS` (8, 'c')", 2D, "geary coefficient of lag 8 weighted by gasteiger charge" 554, , GATS1dv, ":py:class:`~mordred.Autocorrelation.GATS` (1, 'dv')", 2D, "geary coefficient of lag 1 weighted by valence electrons" 555, , GATS2dv, ":py:class:`~mordred.Autocorrelation.GATS` (2, 'dv')", 2D, "geary coefficient of lag 2 weighted by valence electrons" 556, , GATS3dv, ":py:class:`~mordred.Autocorrelation.GATS` (3, 'dv')", 2D, "geary coefficient of lag 3 weighted by valence electrons" 557, , GATS4dv, ":py:class:`~mordred.Autocorrelation.GATS` (4, 'dv')", 2D, "geary coefficient of lag 4 weighted by valence electrons" 558, , GATS5dv, ":py:class:`~mordred.Autocorrelation.GATS` (5, 'dv')", 2D, "geary coefficient of lag 5 weighted by valence electrons" 559, , GATS6dv, ":py:class:`~mordred.Autocorrelation.GATS` (6, 'dv')", 2D, "geary coefficient of lag 6 weighted by valence electrons" 560, , GATS7dv, ":py:class:`~mordred.Autocorrelation.GATS` (7, 'dv')", 2D, "geary coefficient of lag 7 weighted by valence electrons" 561, , GATS8dv, ":py:class:`~mordred.Autocorrelation.GATS` (8, 'dv')", 2D, "geary coefficient of lag 8 weighted by valence electrons" 562, , GATS1d, ":py:class:`~mordred.Autocorrelation.GATS` (1, 'd')", 2D, "geary coefficient of lag 1 weighted by sigma electrons" 563, , GATS2d, ":py:class:`~mordred.Autocorrelation.GATS` (2, 'd')", 2D, "geary coefficient of lag 2 weighted by sigma electrons" 564, , GATS3d, ":py:class:`~mordred.Autocorrelation.GATS` (3, 'd')", 2D, "geary coefficient of lag 3 weighted by sigma electrons" 565, , GATS4d, ":py:class:`~mordred.Autocorrelation.GATS` (4, 'd')", 2D, "geary coefficient of lag 4 weighted by sigma electrons" 566, , GATS5d, ":py:class:`~mordred.Autocorrelation.GATS` (5, 'd')", 2D, "geary coefficient of lag 5 weighted by sigma electrons" 567, , GATS6d, ":py:class:`~mordred.Autocorrelation.GATS` (6, 'd')", 2D, "geary coefficient of lag 6 weighted by sigma electrons" 568, , GATS7d, ":py:class:`~mordred.Autocorrelation.GATS` (7, 'd')", 2D, "geary coefficient of lag 7 weighted by sigma electrons" 569, , GATS8d, ":py:class:`~mordred.Autocorrelation.GATS` (8, 'd')", 2D, "geary coefficient of lag 8 weighted by sigma electrons" 570, , GATS1s, ":py:class:`~mordred.Autocorrelation.GATS` (1, 's')", 2D, "geary coefficient of lag 1 weighted by intrinsic state" 571, , GATS2s, ":py:class:`~mordred.Autocorrelation.GATS` (2, 's')", 2D, "geary coefficient of lag 2 weighted by intrinsic state" 572, , GATS3s, ":py:class:`~mordred.Autocorrelation.GATS` (3, 's')", 2D, "geary coefficient of lag 3 weighted by intrinsic state" 573, , GATS4s, ":py:class:`~mordred.Autocorrelation.GATS` (4, 's')", 2D, "geary coefficient of lag 4 weighted by intrinsic state" 574, , GATS5s, ":py:class:`~mordred.Autocorrelation.GATS` (5, 's')", 2D, "geary coefficient of lag 5 weighted by intrinsic state" 575, , GATS6s, ":py:class:`~mordred.Autocorrelation.GATS` (6, 's')", 2D, "geary coefficient of lag 6 weighted by intrinsic state" 576, , GATS7s, ":py:class:`~mordred.Autocorrelation.GATS` (7, 's')", 2D, "geary coefficient of lag 7 weighted by intrinsic state" 577, , GATS8s, ":py:class:`~mordred.Autocorrelation.GATS` (8, 's')", 2D, "geary coefficient of lag 8 weighted by intrinsic state" 578, , GATS1Z, ":py:class:`~mordred.Autocorrelation.GATS` (1, 'Z')", 2D, "geary coefficient of lag 1 weighted by atomic number" 579, , GATS2Z, ":py:class:`~mordred.Autocorrelation.GATS` (2, 'Z')", 2D, "geary coefficient of lag 2 weighted by atomic number" 580, , GATS3Z, ":py:class:`~mordred.Autocorrelation.GATS` (3, 'Z')", 2D, "geary coefficient of lag 3 weighted by atomic number" 581, , GATS4Z, ":py:class:`~mordred.Autocorrelation.GATS` (4, 'Z')", 2D, "geary coefficient of lag 4 weighted by atomic number" 582, , GATS5Z, ":py:class:`~mordred.Autocorrelation.GATS` (5, 'Z')", 2D, "geary coefficient of lag 5 weighted by atomic number" 583, , GATS6Z, ":py:class:`~mordred.Autocorrelation.GATS` (6, 'Z')", 2D, "geary coefficient of lag 6 weighted by atomic number" 584, , GATS7Z, ":py:class:`~mordred.Autocorrelation.GATS` (7, 'Z')", 2D, "geary coefficient of lag 7 weighted by atomic number" 585, , GATS8Z, ":py:class:`~mordred.Autocorrelation.GATS` (8, 'Z')", 2D, "geary coefficient of lag 8 weighted by atomic number" 586, , GATS1m, ":py:class:`~mordred.Autocorrelation.GATS` (1, 'm')", 2D, "geary coefficient of lag 1 weighted by mass" 587, , GATS2m, ":py:class:`~mordred.Autocorrelation.GATS` (2, 'm')", 2D, "geary coefficient of lag 2 weighted by mass" 588, , GATS3m, ":py:class:`~mordred.Autocorrelation.GATS` (3, 'm')", 2D, "geary coefficient of lag 3 weighted by mass" 589, , GATS4m, ":py:class:`~mordred.Autocorrelation.GATS` (4, 'm')", 2D, "geary coefficient of lag 4 weighted by mass" 590, , GATS5m, ":py:class:`~mordred.Autocorrelation.GATS` (5, 'm')", 2D, "geary coefficient of lag 5 weighted by mass" 591, , GATS6m, ":py:class:`~mordred.Autocorrelation.GATS` (6, 'm')", 2D, "geary coefficient of lag 6 weighted by mass" 592, , GATS7m, ":py:class:`~mordred.Autocorrelation.GATS` (7, 'm')", 2D, "geary coefficient of lag 7 weighted by mass" 593, , GATS8m, ":py:class:`~mordred.Autocorrelation.GATS` (8, 'm')", 2D, "geary coefficient of lag 8 weighted by mass" 594, , GATS1v, ":py:class:`~mordred.Autocorrelation.GATS` (1, 'v')", 2D, "geary coefficient of lag 1 weighted by vdw volume" 595, , GATS2v, ":py:class:`~mordred.Autocorrelation.GATS` (2, 'v')", 2D, "geary coefficient of lag 2 weighted by vdw volume" 596, , GATS3v, ":py:class:`~mordred.Autocorrelation.GATS` (3, 'v')", 2D, "geary coefficient of lag 3 weighted by vdw volume" 597, , GATS4v, ":py:class:`~mordred.Autocorrelation.GATS` (4, 'v')", 2D, "geary coefficient of lag 4 weighted by vdw volume" 598, , GATS5v, ":py:class:`~mordred.Autocorrelation.GATS` (5, 'v')", 2D, "geary coefficient of lag 5 weighted by vdw volume" 599, , GATS6v, ":py:class:`~mordred.Autocorrelation.GATS` (6, 'v')", 2D, "geary coefficient of lag 6 weighted by vdw volume" 600, , GATS7v, ":py:class:`~mordred.Autocorrelation.GATS` (7, 'v')", 2D, "geary coefficient of lag 7 weighted by vdw volume" 601, , GATS8v, ":py:class:`~mordred.Autocorrelation.GATS` (8, 'v')", 2D, "geary coefficient of lag 8 weighted by vdw volume" 602, , GATS1se, ":py:class:`~mordred.Autocorrelation.GATS` (1, 'se')", 2D, "geary coefficient of lag 1 weighted by sanderson EN" 603, , GATS2se, ":py:class:`~mordred.Autocorrelation.GATS` (2, 'se')", 2D, "geary coefficient of lag 2 weighted by sanderson EN" 604, , GATS3se, ":py:class:`~mordred.Autocorrelation.GATS` (3, 'se')", 2D, "geary coefficient of lag 3 weighted by sanderson EN" 605, , GATS4se, ":py:class:`~mordred.Autocorrelation.GATS` (4, 'se')", 2D, "geary coefficient of lag 4 weighted by sanderson EN" 606, , GATS5se, ":py:class:`~mordred.Autocorrelation.GATS` (5, 'se')", 2D, "geary coefficient of lag 5 weighted by sanderson EN" 607, , GATS6se, ":py:class:`~mordred.Autocorrelation.GATS` (6, 'se')", 2D, "geary coefficient of lag 6 weighted by sanderson EN" 608, , GATS7se, ":py:class:`~mordred.Autocorrelation.GATS` (7, 'se')", 2D, "geary coefficient of lag 7 weighted by sanderson EN" 609, , GATS8se, ":py:class:`~mordred.Autocorrelation.GATS` (8, 'se')", 2D, "geary coefficient of lag 8 weighted by sanderson EN" 610, , GATS1pe, ":py:class:`~mordred.Autocorrelation.GATS` (1, 'pe')", 2D, "geary coefficient of lag 1 weighted by pauling EN" 611, , GATS2pe, ":py:class:`~mordred.Autocorrelation.GATS` (2, 'pe')", 2D, "geary coefficient of lag 2 weighted by pauling EN" 612, , GATS3pe, ":py:class:`~mordred.Autocorrelation.GATS` (3, 'pe')", 2D, "geary coefficient of lag 3 weighted by pauling EN" 613, , GATS4pe, ":py:class:`~mordred.Autocorrelation.GATS` (4, 'pe')", 2D, "geary coefficient of lag 4 weighted by pauling EN" 614, , GATS5pe, ":py:class:`~mordred.Autocorrelation.GATS` (5, 'pe')", 2D, "geary coefficient of lag 5 weighted by pauling EN" 615, , GATS6pe, ":py:class:`~mordred.Autocorrelation.GATS` (6, 'pe')", 2D, "geary coefficient of lag 6 weighted by pauling EN" 616, , GATS7pe, ":py:class:`~mordred.Autocorrelation.GATS` (7, 'pe')", 2D, "geary coefficient of lag 7 weighted by pauling EN" 617, , GATS8pe, ":py:class:`~mordred.Autocorrelation.GATS` (8, 'pe')", 2D, "geary coefficient of lag 8 weighted by pauling EN" 618, , GATS1are, ":py:class:`~mordred.Autocorrelation.GATS` (1, 'are')", 2D, "geary coefficient of lag 1 weighted by allred-rocow EN" 619, , GATS2are, ":py:class:`~mordred.Autocorrelation.GATS` (2, 'are')", 2D, "geary coefficient of lag 2 weighted by allred-rocow EN" 620, , GATS3are, ":py:class:`~mordred.Autocorrelation.GATS` (3, 'are')", 2D, "geary coefficient of lag 3 weighted by allred-rocow EN" 621, , GATS4are, ":py:class:`~mordred.Autocorrelation.GATS` (4, 'are')", 2D, "geary coefficient of lag 4 weighted by allred-rocow EN" 622, , GATS5are, ":py:class:`~mordred.Autocorrelation.GATS` (5, 'are')", 2D, "geary coefficient of lag 5 weighted by allred-rocow EN" 623, , GATS6are, ":py:class:`~mordred.Autocorrelation.GATS` (6, 'are')", 2D, "geary coefficient of lag 6 weighted by allred-rocow EN" 624, , GATS7are, ":py:class:`~mordred.Autocorrelation.GATS` (7, 'are')", 2D, "geary coefficient of lag 7 weighted by allred-rocow EN" 625, , GATS8are, ":py:class:`~mordred.Autocorrelation.GATS` (8, 'are')", 2D, "geary coefficient of lag 8 weighted by allred-rocow EN" 626, , GATS1p, ":py:class:`~mordred.Autocorrelation.GATS` (1, 'p')", 2D, "geary coefficient of lag 1 weighted by polarizability" 627, , GATS2p, ":py:class:`~mordred.Autocorrelation.GATS` (2, 'p')", 2D, "geary coefficient of lag 2 weighted by polarizability" 628, , GATS3p, ":py:class:`~mordred.Autocorrelation.GATS` (3, 'p')", 2D, "geary coefficient of lag 3 weighted by polarizability" 629, , GATS4p, ":py:class:`~mordred.Autocorrelation.GATS` (4, 'p')", 2D, "geary coefficient of lag 4 weighted by polarizability" 630, , GATS5p, ":py:class:`~mordred.Autocorrelation.GATS` (5, 'p')", 2D, "geary coefficient of lag 5 weighted by polarizability" 631, , GATS6p, ":py:class:`~mordred.Autocorrelation.GATS` (6, 'p')", 2D, "geary coefficient of lag 6 weighted by polarizability" 632, , GATS7p, ":py:class:`~mordred.Autocorrelation.GATS` (7, 'p')", 2D, "geary coefficient of lag 7 weighted by polarizability" 633, , GATS8p, ":py:class:`~mordred.Autocorrelation.GATS` (8, 'p')", 2D, "geary coefficient of lag 8 weighted by polarizability" 634, , GATS1i, ":py:class:`~mordred.Autocorrelation.GATS` (1, 'i')", 2D, "geary coefficient of lag 1 weighted by ionization potential" 635, , GATS2i, ":py:class:`~mordred.Autocorrelation.GATS` (2, 'i')", 2D, "geary coefficient of lag 2 weighted by ionization potential" 636, , GATS3i, ":py:class:`~mordred.Autocorrelation.GATS` (3, 'i')", 2D, "geary coefficient of lag 3 weighted by ionization potential" 637, , GATS4i, ":py:class:`~mordred.Autocorrelation.GATS` (4, 'i')", 2D, "geary coefficient of lag 4 weighted by ionization potential" 638, , GATS5i, ":py:class:`~mordred.Autocorrelation.GATS` (5, 'i')", 2D, "geary coefficient of lag 5 weighted by ionization potential" 639, , GATS6i, ":py:class:`~mordred.Autocorrelation.GATS` (6, 'i')", 2D, "geary coefficient of lag 6 weighted by ionization potential" 640, , GATS7i, ":py:class:`~mordred.Autocorrelation.GATS` (7, 'i')", 2D, "geary coefficient of lag 7 weighted by ionization potential" 641, , GATS8i, ":py:class:`~mordred.Autocorrelation.GATS` (8, 'i')", 2D, "geary coefficient of lag 8 weighted by ionization potential" 642, :py:mod:`~mordred.BCUT`, BCUTc-1h, ":py:class:`~mordred.BCUT.BCUT` ('c', 0)", 2D, "first heighest eigenvalue of Burden matrix weighted by gasteiger charge" 643, , BCUTc-1l, ":py:class:`~mordred.BCUT.BCUT` ('c', -1)", 2D, "first lowest eigenvalue of Burden matrix weighted by gasteiger charge" 644, , BCUTdv-1h, ":py:class:`~mordred.BCUT.BCUT` ('dv', 0)", 2D, "first heighest eigenvalue of Burden matrix weighted by valence electrons" 645, , BCUTdv-1l, ":py:class:`~mordred.BCUT.BCUT` ('dv', -1)", 2D, "first lowest eigenvalue of Burden matrix weighted by valence electrons" 646, , BCUTd-1h, ":py:class:`~mordred.BCUT.BCUT` ('d', 0)", 2D, "first heighest eigenvalue of Burden matrix weighted by sigma electrons" 647, , BCUTd-1l, ":py:class:`~mordred.BCUT.BCUT` ('d', -1)", 2D, "first lowest eigenvalue of Burden matrix weighted by sigma electrons" 648, , BCUTs-1h, ":py:class:`~mordred.BCUT.BCUT` ('s', 0)", 2D, "first heighest eigenvalue of Burden matrix weighted by intrinsic state" 649, , BCUTs-1l, ":py:class:`~mordred.BCUT.BCUT` ('s', -1)", 2D, "first lowest eigenvalue of Burden matrix weighted by intrinsic state" 650, , BCUTZ-1h, ":py:class:`~mordred.BCUT.BCUT` ('Z', 0)", 2D, "first heighest eigenvalue of Burden matrix weighted by atomic number" 651, , BCUTZ-1l, ":py:class:`~mordred.BCUT.BCUT` ('Z', -1)", 2D, "first lowest eigenvalue of Burden matrix weighted by atomic number" 652, , BCUTm-1h, ":py:class:`~mordred.BCUT.BCUT` ('m', 0)", 2D, "first heighest eigenvalue of Burden matrix weighted by mass" 653, , BCUTm-1l, ":py:class:`~mordred.BCUT.BCUT` ('m', -1)", 2D, "first lowest eigenvalue of Burden matrix weighted by mass" 654, , BCUTv-1h, ":py:class:`~mordred.BCUT.BCUT` ('v', 0)", 2D, "first heighest eigenvalue of Burden matrix weighted by vdw volume" 655, , BCUTv-1l, ":py:class:`~mordred.BCUT.BCUT` ('v', -1)", 2D, "first lowest eigenvalue of Burden matrix weighted by vdw volume" 656, , BCUTse-1h, ":py:class:`~mordred.BCUT.BCUT` ('se', 0)", 2D, "first heighest eigenvalue of Burden matrix weighted by sanderson EN" 657, , BCUTse-1l, ":py:class:`~mordred.BCUT.BCUT` ('se', -1)", 2D, "first lowest eigenvalue of Burden matrix weighted by sanderson EN" 658, , BCUTpe-1h, ":py:class:`~mordred.BCUT.BCUT` ('pe', 0)", 2D, "first heighest eigenvalue of Burden matrix weighted by pauling EN" 659, , BCUTpe-1l, ":py:class:`~mordred.BCUT.BCUT` ('pe', -1)", 2D, "first lowest eigenvalue of Burden matrix weighted by pauling EN" 660, , BCUTare-1h, ":py:class:`~mordred.BCUT.BCUT` ('are', 0)", 2D, "first heighest eigenvalue of Burden matrix weighted by allred-rocow EN" 661, , BCUTare-1l, ":py:class:`~mordred.BCUT.BCUT` ('are', -1)", 2D, "first lowest eigenvalue of Burden matrix weighted by allred-rocow EN" 662, , BCUTp-1h, ":py:class:`~mordred.BCUT.BCUT` ('p', 0)", 2D, "first heighest eigenvalue of Burden matrix weighted by polarizability" 663, , BCUTp-1l, ":py:class:`~mordred.BCUT.BCUT` ('p', -1)", 2D, "first lowest eigenvalue of Burden matrix weighted by polarizability" 664, , BCUTi-1h, ":py:class:`~mordred.BCUT.BCUT` ('i', 0)", 2D, "first heighest eigenvalue of Burden matrix weighted by ionization potential" 665, , BCUTi-1l, ":py:class:`~mordred.BCUT.BCUT` ('i', -1)", 2D, "first lowest eigenvalue of Burden matrix weighted by ionization potential" 666, :py:mod:`~mordred.BalabanJ`, BalabanJ, ":py:class:`~mordred.BalabanJ.BalabanJ` ()", 2D, "Balaban's J index" 667, :py:mod:`~mordred.BaryszMatrix`, SpAbs_DzZ, ":py:class:`~mordred.BaryszMatrix.BaryszMatrix` ('Z', 'SpAbs')", 2D, "graph energy from Barysz matrix weighted by atomic number" 668, , SpMax_DzZ, ":py:class:`~mordred.BaryszMatrix.BaryszMatrix` ('Z', 'SpMax')", 2D, "leading eigenvalue from Barysz matrix weighted by atomic number" 669, , SpDiam_DzZ, ":py:class:`~mordred.BaryszMatrix.BaryszMatrix` ('Z', 'SpDiam')", 2D, "spectral diamiter from Barysz matrix weighted by atomic number" 670, , SpAD_DzZ, ":py:class:`~mordred.BaryszMatrix.BaryszMatrix` ('Z', 'SpAD')", 2D, "spectral absolute diviation from Barysz matrix weighted by atomic number" 671, , SpMAD_DzZ, ":py:class:`~mordred.BaryszMatrix.BaryszMatrix` ('Z', 'SpMAD')", 2D, "spectral mean absolute diviation from Barysz matrix weighted by atomic number" 672, , LogEE_DzZ, ":py:class:`~mordred.BaryszMatrix.BaryszMatrix` ('Z', 'LogEE')", 2D, "Estrada-like index from Barysz matrix weighted by atomic number" 673, , SM1_DzZ, ":py:class:`~mordred.BaryszMatrix.BaryszMatrix` ('Z', 'SM1')", 2D, "spectral moment from Barysz matrix weighted by atomic number" 674, , VE1_DzZ, ":py:class:`~mordred.BaryszMatrix.BaryszMatrix` ('Z', 'VE1')", 2D, "coefficient sum of the last eigenvector from Barysz matrix weighted by atomic number" 675, , VE2_DzZ, ":py:class:`~mordred.BaryszMatrix.BaryszMatrix` ('Z', 'VE2')", 2D, "average coefficient of the last eigenvector from Barysz matrix weighted by atomic number" 676, , VE3_DzZ, ":py:class:`~mordred.BaryszMatrix.BaryszMatrix` ('Z', 'VE3')", 2D, "logarithmic coefficient sum of the last eigenvector from Barysz matrix weighted by atomic number" 677, , VR1_DzZ, ":py:class:`~mordred.BaryszMatrix.BaryszMatrix` ('Z', 'VR1')", 2D, "Randic-like eigenvector-based index from Barysz matrix weighted by atomic number" 678, , VR2_DzZ, ":py:class:`~mordred.BaryszMatrix.BaryszMatrix` ('Z', 'VR2')", 2D, "normalized Randic-like eigenvector-based index from Barysz matrix weighted by atomic number" 679, , VR3_DzZ, ":py:class:`~mordred.BaryszMatrix.BaryszMatrix` ('Z', 'VR3')", 2D, "logarithmic Randic-like eigenvector-based index from Barysz matrix weighted by atomic number" 680, , SpAbs_Dzm, ":py:class:`~mordred.BaryszMatrix.BaryszMatrix` ('m', 'SpAbs')", 2D, "graph energy from Barysz matrix weighted by mass" 681, , SpMax_Dzm, ":py:class:`~mordred.BaryszMatrix.BaryszMatrix` ('m', 'SpMax')", 2D, "leading eigenvalue from Barysz matrix weighted by mass" 682, , SpDiam_Dzm, ":py:class:`~mordred.BaryszMatrix.BaryszMatrix` ('m', 'SpDiam')", 2D, "spectral diamiter from Barysz matrix weighted by mass" 683, , SpAD_Dzm, ":py:class:`~mordred.BaryszMatrix.BaryszMatrix` ('m', 'SpAD')", 2D, "spectral absolute diviation from Barysz matrix weighted by mass" 684, , SpMAD_Dzm, ":py:class:`~mordred.BaryszMatrix.BaryszMatrix` ('m', 'SpMAD')", 2D, "spectral mean absolute diviation from Barysz matrix weighted by mass" 685, , LogEE_Dzm, ":py:class:`~mordred.BaryszMatrix.BaryszMatrix` ('m', 'LogEE')", 2D, "Estrada-like index from Barysz matrix weighted by mass" 686, , SM1_Dzm, ":py:class:`~mordred.BaryszMatrix.BaryszMatrix` ('m', 'SM1')", 2D, "spectral moment from Barysz matrix weighted by mass" 687, , VE1_Dzm, ":py:class:`~mordred.BaryszMatrix.BaryszMatrix` ('m', 'VE1')", 2D, "coefficient sum of the last eigenvector from Barysz matrix weighted by mass" 688, , VE2_Dzm, ":py:class:`~mordred.BaryszMatrix.BaryszMatrix` ('m', 'VE2')", 2D, "average coefficient of the last eigenvector from Barysz matrix weighted by mass" 689, , VE3_Dzm, ":py:class:`~mordred.BaryszMatrix.BaryszMatrix` ('m', 'VE3')", 2D, "logarithmic coefficient sum of the last eigenvector from Barysz matrix weighted by mass" 690, , VR1_Dzm, ":py:class:`~mordred.BaryszMatrix.BaryszMatrix` ('m', 'VR1')", 2D, "Randic-like eigenvector-based index from Barysz matrix weighted by mass" 691, , VR2_Dzm, ":py:class:`~mordred.BaryszMatrix.BaryszMatrix` ('m', 'VR2')", 2D, "normalized Randic-like eigenvector-based index from Barysz matrix weighted by mass" 692, , VR3_Dzm, ":py:class:`~mordred.BaryszMatrix.BaryszMatrix` ('m', 'VR3')", 2D, "logarithmic Randic-like eigenvector-based index from Barysz matrix weighted by mass" 693, , SpAbs_Dzv, ":py:class:`~mordred.BaryszMatrix.BaryszMatrix` ('v', 'SpAbs')", 2D, "graph energy from Barysz matrix weighted by vdw volume" 694, , SpMax_Dzv, ":py:class:`~mordred.BaryszMatrix.BaryszMatrix` ('v', 'SpMax')", 2D, "leading eigenvalue from Barysz matrix weighted by vdw volume" 695, , SpDiam_Dzv, ":py:class:`~mordred.BaryszMatrix.BaryszMatrix` ('v', 'SpDiam')", 2D, "spectral diamiter from Barysz matrix weighted by vdw volume" 696, , SpAD_Dzv, ":py:class:`~mordred.BaryszMatrix.BaryszMatrix` ('v', 'SpAD')", 2D, "spectral absolute diviation from Barysz matrix weighted by vdw volume" 697, , SpMAD_Dzv, ":py:class:`~mordred.BaryszMatrix.BaryszMatrix` ('v', 'SpMAD')", 2D, "spectral mean absolute diviation from Barysz matrix weighted by vdw volume" 698, , LogEE_Dzv, ":py:class:`~mordred.BaryszMatrix.BaryszMatrix` ('v', 'LogEE')", 2D, "Estrada-like index from Barysz matrix weighted by vdw volume" 699, , SM1_Dzv, ":py:class:`~mordred.BaryszMatrix.BaryszMatrix` ('v', 'SM1')", 2D, "spectral moment from Barysz matrix weighted by vdw volume" 700, , VE1_Dzv, ":py:class:`~mordred.BaryszMatrix.BaryszMatrix` ('v', 'VE1')", 2D, "coefficient sum of the last eigenvector from Barysz matrix weighted by vdw volume" 701, , VE2_Dzv, ":py:class:`~mordred.BaryszMatrix.BaryszMatrix` ('v', 'VE2')", 2D, "average coefficient of the last eigenvector from Barysz matrix weighted by vdw volume" 702, , VE3_Dzv, ":py:class:`~mordred.BaryszMatrix.BaryszMatrix` ('v', 'VE3')", 2D, "logarithmic coefficient sum of the last eigenvector from Barysz matrix weighted by vdw volume" 703, , VR1_Dzv, ":py:class:`~mordred.BaryszMatrix.BaryszMatrix` ('v', 'VR1')", 2D, "Randic-like eigenvector-based index from Barysz matrix weighted by vdw volume" 704, , VR2_Dzv, ":py:class:`~mordred.BaryszMatrix.BaryszMatrix` ('v', 'VR2')", 2D, "normalized Randic-like eigenvector-based index from Barysz matrix weighted by vdw volume" 705, , VR3_Dzv, ":py:class:`~mordred.BaryszMatrix.BaryszMatrix` ('v', 'VR3')", 2D, "logarithmic Randic-like eigenvector-based index from Barysz matrix weighted by vdw volume" 706, , SpAbs_Dzse, ":py:class:`~mordred.BaryszMatrix.BaryszMatrix` ('se', 'SpAbs')", 2D, "graph energy from Barysz matrix weighted by sanderson EN" 707, , SpMax_Dzse, ":py:class:`~mordred.BaryszMatrix.BaryszMatrix` ('se', 'SpMax')", 2D, "leading eigenvalue from Barysz matrix weighted by sanderson EN" 708, , SpDiam_Dzse, ":py:class:`~mordred.BaryszMatrix.BaryszMatrix` ('se', 'SpDiam')", 2D, "spectral diamiter from Barysz matrix weighted by sanderson EN" 709, , SpAD_Dzse, ":py:class:`~mordred.BaryszMatrix.BaryszMatrix` ('se', 'SpAD')", 2D, "spectral absolute diviation from Barysz matrix weighted by sanderson EN" 710, , SpMAD_Dzse, ":py:class:`~mordred.BaryszMatrix.BaryszMatrix` ('se', 'SpMAD')", 2D, "spectral mean absolute diviation from Barysz matrix weighted by sanderson EN" 711, , LogEE_Dzse, ":py:class:`~mordred.BaryszMatrix.BaryszMatrix` ('se', 'LogEE')", 2D, "Estrada-like index from Barysz matrix weighted by sanderson EN" 712, , SM1_Dzse, ":py:class:`~mordred.BaryszMatrix.BaryszMatrix` ('se', 'SM1')", 2D, "spectral moment from Barysz matrix weighted by sanderson EN" 713, , VE1_Dzse, ":py:class:`~mordred.BaryszMatrix.BaryszMatrix` ('se', 'VE1')", 2D, "coefficient sum of the last eigenvector from Barysz matrix weighted by sanderson EN" 714, , VE2_Dzse, ":py:class:`~mordred.BaryszMatrix.BaryszMatrix` ('se', 'VE2')", 2D, "average coefficient of the last eigenvector from Barysz matrix weighted by sanderson EN" 715, , VE3_Dzse, ":py:class:`~mordred.BaryszMatrix.BaryszMatrix` ('se', 'VE3')", 2D, "logarithmic coefficient sum of the last eigenvector from Barysz matrix weighted by sanderson EN" 716, , VR1_Dzse, ":py:class:`~mordred.BaryszMatrix.BaryszMatrix` ('se', 'VR1')", 2D, "Randic-like eigenvector-based index from Barysz matrix weighted by sanderson EN" 717, , VR2_Dzse, ":py:class:`~mordred.BaryszMatrix.BaryszMatrix` ('se', 'VR2')", 2D, "normalized Randic-like eigenvector-based index from Barysz matrix weighted by sanderson EN" 718, , VR3_Dzse, ":py:class:`~mordred.BaryszMatrix.BaryszMatrix` ('se', 'VR3')", 2D, "logarithmic Randic-like eigenvector-based index from Barysz matrix weighted by sanderson EN" 719, , SpAbs_Dzpe, ":py:class:`~mordred.BaryszMatrix.BaryszMatrix` ('pe', 'SpAbs')", 2D, "graph energy from Barysz matrix weighted by pauling EN" 720, , SpMax_Dzpe, ":py:class:`~mordred.BaryszMatrix.BaryszMatrix` ('pe', 'SpMax')", 2D, "leading eigenvalue from Barysz matrix weighted by pauling EN" 721, , SpDiam_Dzpe, ":py:class:`~mordred.BaryszMatrix.BaryszMatrix` ('pe', 'SpDiam')", 2D, "spectral diamiter from Barysz matrix weighted by pauling EN" 722, , SpAD_Dzpe, ":py:class:`~mordred.BaryszMatrix.BaryszMatrix` ('pe', 'SpAD')", 2D, "spectral absolute diviation from Barysz matrix weighted by pauling EN" 723, , SpMAD_Dzpe, ":py:class:`~mordred.BaryszMatrix.BaryszMatrix` ('pe', 'SpMAD')", 2D, "spectral mean absolute diviation from Barysz matrix weighted by pauling EN" 724, , LogEE_Dzpe, ":py:class:`~mordred.BaryszMatrix.BaryszMatrix` ('pe', 'LogEE')", 2D, "Estrada-like index from Barysz matrix weighted by pauling EN" 725, , SM1_Dzpe, ":py:class:`~mordred.BaryszMatrix.BaryszMatrix` ('pe', 'SM1')", 2D, "spectral moment from Barysz matrix weighted by pauling EN" 726, , VE1_Dzpe, ":py:class:`~mordred.BaryszMatrix.BaryszMatrix` ('pe', 'VE1')", 2D, "coefficient sum of the last eigenvector from Barysz matrix weighted by pauling EN" 727, , VE2_Dzpe, ":py:class:`~mordred.BaryszMatrix.BaryszMatrix` ('pe', 'VE2')", 2D, "average coefficient of the last eigenvector from Barysz matrix weighted by pauling EN" 728, , VE3_Dzpe, ":py:class:`~mordred.BaryszMatrix.BaryszMatrix` ('pe', 'VE3')", 2D, "logarithmic coefficient sum of the last eigenvector from Barysz matrix weighted by pauling EN" 729, , VR1_Dzpe, ":py:class:`~mordred.BaryszMatrix.BaryszMatrix` ('pe', 'VR1')", 2D, "Randic-like eigenvector-based index from Barysz matrix weighted by pauling EN" 730, , VR2_Dzpe, ":py:class:`~mordred.BaryszMatrix.BaryszMatrix` ('pe', 'VR2')", 2D, "normalized Randic-like eigenvector-based index from Barysz matrix weighted by pauling EN" 731, , VR3_Dzpe, ":py:class:`~mordred.BaryszMatrix.BaryszMatrix` ('pe', 'VR3')", 2D, "logarithmic Randic-like eigenvector-based index from Barysz matrix weighted by pauling EN" 732, , SpAbs_Dzare, ":py:class:`~mordred.BaryszMatrix.BaryszMatrix` ('are', 'SpAbs')", 2D, "graph energy from Barysz matrix weighted by allred-rocow EN" 733, , SpMax_Dzare, ":py:class:`~mordred.BaryszMatrix.BaryszMatrix` ('are', 'SpMax')", 2D, "leading eigenvalue from Barysz matrix weighted by allred-rocow EN" 734, , SpDiam_Dzare, ":py:class:`~mordred.BaryszMatrix.BaryszMatrix` ('are', 'SpDiam')", 2D, "spectral diamiter from Barysz matrix weighted by allred-rocow EN" 735, , SpAD_Dzare, ":py:class:`~mordred.BaryszMatrix.BaryszMatrix` ('are', 'SpAD')", 2D, "spectral absolute diviation from Barysz matrix weighted by allred-rocow EN" 736, , SpMAD_Dzare, ":py:class:`~mordred.BaryszMatrix.BaryszMatrix` ('are', 'SpMAD')", 2D, "spectral mean absolute diviation from Barysz matrix weighted by allred-rocow EN" 737, , LogEE_Dzare, ":py:class:`~mordred.BaryszMatrix.BaryszMatrix` ('are', 'LogEE')", 2D, "Estrada-like index from Barysz matrix weighted by allred-rocow EN" 738, , SM1_Dzare, ":py:class:`~mordred.BaryszMatrix.BaryszMatrix` ('are', 'SM1')", 2D, "spectral moment from Barysz matrix weighted by allred-rocow EN" 739, , VE1_Dzare, ":py:class:`~mordred.BaryszMatrix.BaryszMatrix` ('are', 'VE1')", 2D, "coefficient sum of the last eigenvector from Barysz matrix weighted by allred-rocow EN" 740, , VE2_Dzare, ":py:class:`~mordred.BaryszMatrix.BaryszMatrix` ('are', 'VE2')", 2D, "average coefficient of the last eigenvector from Barysz matrix weighted by allred-rocow EN" 741, , VE3_Dzare, ":py:class:`~mordred.BaryszMatrix.BaryszMatrix` ('are', 'VE3')", 2D, "logarithmic coefficient sum of the last eigenvector from Barysz matrix weighted by allred-rocow EN" 742, , VR1_Dzare, ":py:class:`~mordred.BaryszMatrix.BaryszMatrix` ('are', 'VR1')", 2D, "Randic-like eigenvector-based index from Barysz matrix weighted by allred-rocow EN" 743, , VR2_Dzare, ":py:class:`~mordred.BaryszMatrix.BaryszMatrix` ('are', 'VR2')", 2D, "normalized Randic-like eigenvector-based index from Barysz matrix weighted by allred-rocow EN" 744, , VR3_Dzare, ":py:class:`~mordred.BaryszMatrix.BaryszMatrix` ('are', 'VR3')", 2D, "logarithmic Randic-like eigenvector-based index from Barysz matrix weighted by allred-rocow EN" 745, , SpAbs_Dzp, ":py:class:`~mordred.BaryszMatrix.BaryszMatrix` ('p', 'SpAbs')", 2D, "graph energy from Barysz matrix weighted by polarizability" 746, , SpMax_Dzp, ":py:class:`~mordred.BaryszMatrix.BaryszMatrix` ('p', 'SpMax')", 2D, "leading eigenvalue from Barysz matrix weighted by polarizability" 747, , SpDiam_Dzp, ":py:class:`~mordred.BaryszMatrix.BaryszMatrix` ('p', 'SpDiam')", 2D, "spectral diamiter from Barysz matrix weighted by polarizability" 748, , SpAD_Dzp, ":py:class:`~mordred.BaryszMatrix.BaryszMatrix` ('p', 'SpAD')", 2D, "spectral absolute diviation from Barysz matrix weighted by polarizability" 749, , SpMAD_Dzp, ":py:class:`~mordred.BaryszMatrix.BaryszMatrix` ('p', 'SpMAD')", 2D, "spectral mean absolute diviation from Barysz matrix weighted by polarizability" 750, , LogEE_Dzp, ":py:class:`~mordred.BaryszMatrix.BaryszMatrix` ('p', 'LogEE')", 2D, "Estrada-like index from Barysz matrix weighted by polarizability" 751, , SM1_Dzp, ":py:class:`~mordred.BaryszMatrix.BaryszMatrix` ('p', 'SM1')", 2D, "spectral moment from Barysz matrix weighted by polarizability" 752, , VE1_Dzp, ":py:class:`~mordred.BaryszMatrix.BaryszMatrix` ('p', 'VE1')", 2D, "coefficient sum of the last eigenvector from Barysz matrix weighted by polarizability" 753, , VE2_Dzp, ":py:class:`~mordred.BaryszMatrix.BaryszMatrix` ('p', 'VE2')", 2D, "average coefficient of the last eigenvector from Barysz matrix weighted by polarizability" 754, , VE3_Dzp, ":py:class:`~mordred.BaryszMatrix.BaryszMatrix` ('p', 'VE3')", 2D, "logarithmic coefficient sum of the last eigenvector from Barysz matrix weighted by polarizability" 755, , VR1_Dzp, ":py:class:`~mordred.BaryszMatrix.BaryszMatrix` ('p', 'VR1')", 2D, "Randic-like eigenvector-based index from Barysz matrix weighted by polarizability" 756, , VR2_Dzp, ":py:class:`~mordred.BaryszMatrix.BaryszMatrix` ('p', 'VR2')", 2D, "normalized Randic-like eigenvector-based index from Barysz matrix weighted by polarizability" 757, , VR3_Dzp, ":py:class:`~mordred.BaryszMatrix.BaryszMatrix` ('p', 'VR3')", 2D, "logarithmic Randic-like eigenvector-based index from Barysz matrix weighted by polarizability" 758, , SpAbs_Dzi, ":py:class:`~mordred.BaryszMatrix.BaryszMatrix` ('i', 'SpAbs')", 2D, "graph energy from Barysz matrix weighted by ionization potential" 759, , SpMax_Dzi, ":py:class:`~mordred.BaryszMatrix.BaryszMatrix` ('i', 'SpMax')", 2D, "leading eigenvalue from Barysz matrix weighted by ionization potential" 760, , SpDiam_Dzi, ":py:class:`~mordred.BaryszMatrix.BaryszMatrix` ('i', 'SpDiam')", 2D, "spectral diamiter from Barysz matrix weighted by ionization potential" 761, , SpAD_Dzi, ":py:class:`~mordred.BaryszMatrix.BaryszMatrix` ('i', 'SpAD')", 2D, "spectral absolute diviation from Barysz matrix weighted by ionization potential" 762, , SpMAD_Dzi, ":py:class:`~mordred.BaryszMatrix.BaryszMatrix` ('i', 'SpMAD')", 2D, "spectral mean absolute diviation from Barysz matrix weighted by ionization potential" 763, , LogEE_Dzi, ":py:class:`~mordred.BaryszMatrix.BaryszMatrix` ('i', 'LogEE')", 2D, "Estrada-like index from Barysz matrix weighted by ionization potential" 764, , SM1_Dzi, ":py:class:`~mordred.BaryszMatrix.BaryszMatrix` ('i', 'SM1')", 2D, "spectral moment from Barysz matrix weighted by ionization potential" 765, , VE1_Dzi, ":py:class:`~mordred.BaryszMatrix.BaryszMatrix` ('i', 'VE1')", 2D, "coefficient sum of the last eigenvector from Barysz matrix weighted by ionization potential" 766, , VE2_Dzi, ":py:class:`~mordred.BaryszMatrix.BaryszMatrix` ('i', 'VE2')", 2D, "average coefficient of the last eigenvector from Barysz matrix weighted by ionization potential" 767, , VE3_Dzi, ":py:class:`~mordred.BaryszMatrix.BaryszMatrix` ('i', 'VE3')", 2D, "logarithmic coefficient sum of the last eigenvector from Barysz matrix weighted by ionization potential" 768, , VR1_Dzi, ":py:class:`~mordred.BaryszMatrix.BaryszMatrix` ('i', 'VR1')", 2D, "Randic-like eigenvector-based index from Barysz matrix weighted by ionization potential" 769, , VR2_Dzi, ":py:class:`~mordred.BaryszMatrix.BaryszMatrix` ('i', 'VR2')", 2D, "normalized Randic-like eigenvector-based index from Barysz matrix weighted by ionization potential" 770, , VR3_Dzi, ":py:class:`~mordred.BaryszMatrix.BaryszMatrix` ('i', 'VR3')", 2D, "logarithmic Randic-like eigenvector-based index from Barysz matrix weighted by ionization potential" 771, :py:mod:`~mordred.BertzCT`, BertzCT, ":py:class:`~mordred.BertzCT.BertzCT` ()", 2D, "Bertz CT" 772, :py:mod:`~mordred.BondCount`, nBonds, ":py:class:`~mordred.BondCount.BondCount` ('any', False)", 2D, "number of all bonds in non-kekulized structure" 773, , nBondsO, ":py:class:`~mordred.BondCount.BondCount` ('heavy', False)", 2D, "number of bonds connecting to heavy atom in non-kekulized structure" 774, , nBondsS, ":py:class:`~mordred.BondCount.BondCount` ('single', False)", 2D, "number of single bonds in non-kekulized structure" 775, , nBondsD, ":py:class:`~mordred.BondCount.BondCount` ('double', False)", 2D, "number of double bonds in non-kekulized structure" 776, , nBondsT, ":py:class:`~mordred.BondCount.BondCount` ('triple', False)", 2D, "number of triple bonds in non-kekulized structure" 777, , nBondsA, ":py:class:`~mordred.BondCount.BondCount` ('aromatic', False)", 2D, "number of aromatic bonds in non-kekulized structure" 778, , nBondsM, ":py:class:`~mordred.BondCount.BondCount` ('multiple', False)", 2D, "number of multiple bonds in non-kekulized structure" 779, , nBondsKS, ":py:class:`~mordred.BondCount.BondCount` ('single', True)", 2D, "number of single bonds in kekulized structure" 780, , nBondsKD, ":py:class:`~mordred.BondCount.BondCount` ('double', True)", 2D, "number of double bonds in kekulized structure" 781, :py:mod:`~mordred.CPSA`, PNSA1, ":py:class:`~mordred.CPSA.PNSA` (1)", 3D, "partial negative surface area (version 1)" 782, , PNSA2, ":py:class:`~mordred.CPSA.PNSA` (2)", 3D, "partial negative surface area (version 2)" 783, , PNSA3, ":py:class:`~mordred.CPSA.PNSA` (3)", 3D, "partial negative surface area (version 3)" 784, , PNSA4, ":py:class:`~mordred.CPSA.PNSA` (4)", 3D, "partial negative surface area (version 4)" 785, , PNSA5, ":py:class:`~mordred.CPSA.PNSA` (5)", 3D, "partial negative surface area (version 5)" 786, , PPSA1, ":py:class:`~mordred.CPSA.PPSA` (1)", 3D, "partial positive surface area (version 1)" 787, , PPSA2, ":py:class:`~mordred.CPSA.PPSA` (2)", 3D, "partial positive surface area (version 2)" 788, , PPSA3, ":py:class:`~mordred.CPSA.PPSA` (3)", 3D, "partial positive surface area (version 3)" 789, , PPSA4, ":py:class:`~mordred.CPSA.PPSA` (4)", 3D, "partial positive surface area (version 4)" 790, , PPSA5, ":py:class:`~mordred.CPSA.PPSA` (5)", 3D, "partial positive surface area (version 5)" 791, , DPSA1, ":py:class:`~mordred.CPSA.DPSA` (1)", 3D, "difference in charged partial surface area (version 1)" 792, , DPSA2, ":py:class:`~mordred.CPSA.DPSA` (2)", 3D, "difference in charged partial surface area (version 2)" 793, , DPSA3, ":py:class:`~mordred.CPSA.DPSA` (3)", 3D, "difference in charged partial surface area (version 3)" 794, , DPSA4, ":py:class:`~mordred.CPSA.DPSA` (4)", 3D, "difference in charged partial surface area (version 4)" 795, , DPSA5, ":py:class:`~mordred.CPSA.DPSA` (5)", 3D, "difference in charged partial surface area (version 5)" 796, , FNSA1, ":py:class:`~mordred.CPSA.FNSA` (1)", 3D, "fractional charged partial negative surface area (version 1)" 797, , FNSA2, ":py:class:`~mordred.CPSA.FNSA` (2)", 3D, "fractional charged partial negative surface area (version 2)" 798, , FNSA3, ":py:class:`~mordred.CPSA.FNSA` (3)", 3D, "fractional charged partial negative surface area (version 3)" 799, , FNSA4, ":py:class:`~mordred.CPSA.FNSA` (4)", 3D, "fractional charged partial negative surface area (version 4)" 800, , FNSA5, ":py:class:`~mordred.CPSA.FNSA` (5)", 3D, "fractional charged partial negative surface area (version 5)" 801, , FPSA1, ":py:class:`~mordred.CPSA.FPSA` (1)", 3D, "fractional charged partial positive surface area (version 1)" 802, , FPSA2, ":py:class:`~mordred.CPSA.FPSA` (2)", 3D, "fractional charged partial positive surface area (version 2)" 803, , FPSA3, ":py:class:`~mordred.CPSA.FPSA` (3)", 3D, "fractional charged partial positive surface area (version 3)" 804, , FPSA4, ":py:class:`~mordred.CPSA.FPSA` (4)", 3D, "fractional charged partial positive surface area (version 4)" 805, , FPSA5, ":py:class:`~mordred.CPSA.FPSA` (5)", 3D, "fractional charged partial positive surface area (version 5)" 806, , WNSA1, ":py:class:`~mordred.CPSA.WNSA` (1)", 3D, "surface weighted charged partial negative surface area (version 1)" 807, , WNSA2, ":py:class:`~mordred.CPSA.WNSA` (2)", 3D, "surface weighted charged partial negative surface area (version 2)" 808, , WNSA3, ":py:class:`~mordred.CPSA.WNSA` (3)", 3D, "surface weighted charged partial negative surface area (version 3)" 809, , WNSA4, ":py:class:`~mordred.CPSA.WNSA` (4)", 3D, "surface weighted charged partial negative surface area (version 4)" 810, , WNSA5, ":py:class:`~mordred.CPSA.WNSA` (5)", 3D, "surface weighted charged partial negative surface area (version 5)" 811, , WPSA1, ":py:class:`~mordred.CPSA.WPSA` (1)", 3D, "surface weighted charged partial positive surface area (version 1)" 812, , WPSA2, ":py:class:`~mordred.CPSA.WPSA` (2)", 3D, "surface weighted charged partial positive surface area (version 2)" 813, , WPSA3, ":py:class:`~mordred.CPSA.WPSA` (3)", 3D, "surface weighted charged partial positive surface area (version 3)" 814, , WPSA4, ":py:class:`~mordred.CPSA.WPSA` (4)", 3D, "surface weighted charged partial positive surface area (version 4)" 815, , WPSA5, ":py:class:`~mordred.CPSA.WPSA` (5)", 3D, "surface weighted charged partial positive surface area (version 5)" 816, , RNCG, ":py:class:`~mordred.CPSA.RNCG` ()", 2D, "relative negative charge" 817, , RPCG, ":py:class:`~mordred.CPSA.RPCG` ()", 2D, "relative positive charge" 818, , RNCS, ":py:class:`~mordred.CPSA.RNCS` ()", 3D, "relative negative charge surface area" 819, , RPCS, ":py:class:`~mordred.CPSA.RPCS` ()", 3D, "relative positive charge surface area" 820, , TASA, ":py:class:`~mordred.CPSA.TASA` ()", 3D, "total hydrophobic surface area" 821, , TPSA, ":py:class:`~mordred.CPSA.TPSA` ()", 3D, "total polar surface area" 822, , RASA, ":py:class:`~mordred.CPSA.RASA` ()", 3D, "relative hydrophobic surface area" 823, , RPSA, ":py:class:`~mordred.CPSA.RPSA` ()", 3D, "relative polar surface area" 824, :py:mod:`~mordred.CarbonTypes`, C1SP1, ":py:class:`~mordred.CarbonTypes.CarbonTypes` (1, 1)", 2D, "SP carbon bound to 1 other carbon" 825, , C2SP1, ":py:class:`~mordred.CarbonTypes.CarbonTypes` (2, 1)", 2D, "SP carbon bound to 2 other carbons" 826, , C1SP2, ":py:class:`~mordred.CarbonTypes.CarbonTypes` (1, 2)", 2D, "SP2 carbon bound to 1 other carbon" 827, , C2SP2, ":py:class:`~mordred.CarbonTypes.CarbonTypes` (2, 2)", 2D, "SP2 carbon bound to 2 other carbons" 828, , C3SP2, ":py:class:`~mordred.CarbonTypes.CarbonTypes` (3, 2)", 2D, "SP2 carbon bound to 3 other carbons" 829, , C1SP3, ":py:class:`~mordred.CarbonTypes.CarbonTypes` (1, 3)", 2D, "SP3 carbon bound to 1 other carbon" 830, , C2SP3, ":py:class:`~mordred.CarbonTypes.CarbonTypes` (2, 3)", 2D, "SP3 carbon bound to 2 other carbons" 831, , C3SP3, ":py:class:`~mordred.CarbonTypes.CarbonTypes` (3, 3)", 2D, "SP3 carbon bound to 3 other carbons" 832, , C4SP3, ":py:class:`~mordred.CarbonTypes.CarbonTypes` (4, 3)", 2D, "SP3 carbon bound to 4 other carbons" 833, , HybRatio, ":py:class:`~mordred.CarbonTypes.HybridizationRatio` ()", 2D, "hybridization ratio" 834, , FCSP3, ":py:class:`~mordred.CarbonTypes.FractionCSP3` ()", 2D, "the fraction of C atoms that are SP3 hybridized" 835, :py:mod:`~mordred.Chi`, Xch-3d, ":py:class:`~mordred.Chi.Chi` ('chain', 3, 'd', False)", 2D, "3-ordered Chi chain weighted by sigma electrons" 836, , Xch-4d, ":py:class:`~mordred.Chi.Chi` ('chain', 4, 'd', False)", 2D, "4-ordered Chi chain weighted by sigma electrons" 837, , Xch-5d, ":py:class:`~mordred.Chi.Chi` ('chain', 5, 'd', False)", 2D, "5-ordered Chi chain weighted by sigma electrons" 838, , Xch-6d, ":py:class:`~mordred.Chi.Chi` ('chain', 6, 'd', False)", 2D, "6-ordered Chi chain weighted by sigma electrons" 839, , Xch-7d, ":py:class:`~mordred.Chi.Chi` ('chain', 7, 'd', False)", 2D, "7-ordered Chi chain weighted by sigma electrons" 840, , Xch-3dv, ":py:class:`~mordred.Chi.Chi` ('chain', 3, 'dv', False)", 2D, "3-ordered Chi chain weighted by valence electrons" 841, , Xch-4dv, ":py:class:`~mordred.Chi.Chi` ('chain', 4, 'dv', False)", 2D, "4-ordered Chi chain weighted by valence electrons" 842, , Xch-5dv, ":py:class:`~mordred.Chi.Chi` ('chain', 5, 'dv', False)", 2D, "5-ordered Chi chain weighted by valence electrons" 843, , Xch-6dv, ":py:class:`~mordred.Chi.Chi` ('chain', 6, 'dv', False)", 2D, "6-ordered Chi chain weighted by valence electrons" 844, , Xch-7dv, ":py:class:`~mordred.Chi.Chi` ('chain', 7, 'dv', False)", 2D, "7-ordered Chi chain weighted by valence electrons" 845, , Xc-3d, ":py:class:`~mordred.Chi.Chi` ('cluster', 3, 'd', False)", 2D, "3-ordered Chi cluster weighted by sigma electrons" 846, , Xc-4d, ":py:class:`~mordred.Chi.Chi` ('cluster', 4, 'd', False)", 2D, "4-ordered Chi cluster weighted by sigma electrons" 847, , Xc-5d, ":py:class:`~mordred.Chi.Chi` ('cluster', 5, 'd', False)", 2D, "5-ordered Chi cluster weighted by sigma electrons" 848, , Xc-6d, ":py:class:`~mordred.Chi.Chi` ('cluster', 6, 'd', False)", 2D, "6-ordered Chi cluster weighted by sigma electrons" 849, , Xc-3dv, ":py:class:`~mordred.Chi.Chi` ('cluster', 3, 'dv', False)", 2D, "3-ordered Chi cluster weighted by valence electrons" 850, , Xc-4dv, ":py:class:`~mordred.Chi.Chi` ('cluster', 4, 'dv', False)", 2D, "4-ordered Chi cluster weighted by valence electrons" 851, , Xc-5dv, ":py:class:`~mordred.Chi.Chi` ('cluster', 5, 'dv', False)", 2D, "5-ordered Chi cluster weighted by valence electrons" 852, , Xc-6dv, ":py:class:`~mordred.Chi.Chi` ('cluster', 6, 'dv', False)", 2D, "6-ordered Chi cluster weighted by valence electrons" 853, , Xpc-4d, ":py:class:`~mordred.Chi.Chi` ('path_cluster', 4, 'd', False)", 2D, "4-ordered Chi path-cluster weighted by sigma electrons" 854, , Xpc-5d, ":py:class:`~mordred.Chi.Chi` ('path_cluster', 5, 'd', False)", 2D, "5-ordered Chi path-cluster weighted by sigma electrons" 855, , Xpc-6d, ":py:class:`~mordred.Chi.Chi` ('path_cluster', 6, 'd', False)", 2D, "6-ordered Chi path-cluster weighted by sigma electrons" 856, , Xpc-4dv, ":py:class:`~mordred.Chi.Chi` ('path_cluster', 4, 'dv', False)", 2D, "4-ordered Chi path-cluster weighted by valence electrons" 857, , Xpc-5dv, ":py:class:`~mordred.Chi.Chi` ('path_cluster', 5, 'dv', False)", 2D, "5-ordered Chi path-cluster weighted by valence electrons" 858, , Xpc-6dv, ":py:class:`~mordred.Chi.Chi` ('path_cluster', 6, 'dv', False)", 2D, "6-ordered Chi path-cluster weighted by valence electrons" 859, , Xp-0d, ":py:class:`~mordred.Chi.Chi` ('path', 0, 'd', False)", 2D, "0-ordered Chi path weighted by sigma electrons" 860, , Xp-1d, ":py:class:`~mordred.Chi.Chi` ('path', 1, 'd', False)", 2D, "1-ordered Chi path weighted by sigma electrons" 861, , Xp-2d, ":py:class:`~mordred.Chi.Chi` ('path', 2, 'd', False)", 2D, "2-ordered Chi path weighted by sigma electrons" 862, , Xp-3d, ":py:class:`~mordred.Chi.Chi` ('path', 3, 'd', False)", 2D, "3-ordered Chi path weighted by sigma electrons" 863, , Xp-4d, ":py:class:`~mordred.Chi.Chi` ('path', 4, 'd', False)", 2D, "4-ordered Chi path weighted by sigma electrons" 864, , Xp-5d, ":py:class:`~mordred.Chi.Chi` ('path', 5, 'd', False)", 2D, "5-ordered Chi path weighted by sigma electrons" 865, , Xp-6d, ":py:class:`~mordred.Chi.Chi` ('path', 6, 'd', False)", 2D, "6-ordered Chi path weighted by sigma electrons" 866, , Xp-7d, ":py:class:`~mordred.Chi.Chi` ('path', 7, 'd', False)", 2D, "7-ordered Chi path weighted by sigma electrons" 867, , AXp-0d, ":py:class:`~mordred.Chi.Chi` ('path', 0, 'd', True)", 2D, "0-ordered averaged Chi path weighted by sigma electrons" 868, , AXp-1d, ":py:class:`~mordred.Chi.Chi` ('path', 1, 'd', True)", 2D, "1-ordered averaged Chi path weighted by sigma electrons" 869, , AXp-2d, ":py:class:`~mordred.Chi.Chi` ('path', 2, 'd', True)", 2D, "2-ordered averaged Chi path weighted by sigma electrons" 870, , AXp-3d, ":py:class:`~mordred.Chi.Chi` ('path', 3, 'd', True)", 2D, "3-ordered averaged Chi path weighted by sigma electrons" 871, , AXp-4d, ":py:class:`~mordred.Chi.Chi` ('path', 4, 'd', True)", 2D, "4-ordered averaged Chi path weighted by sigma electrons" 872, , AXp-5d, ":py:class:`~mordred.Chi.Chi` ('path', 5, 'd', True)", 2D, "5-ordered averaged Chi path weighted by sigma electrons" 873, , AXp-6d, ":py:class:`~mordred.Chi.Chi` ('path', 6, 'd', True)", 2D, "6-ordered averaged Chi path weighted by sigma electrons" 874, , AXp-7d, ":py:class:`~mordred.Chi.Chi` ('path', 7, 'd', True)", 2D, "7-ordered averaged Chi path weighted by sigma electrons" 875, , Xp-0dv, ":py:class:`~mordred.Chi.Chi` ('path', 0, 'dv', False)", 2D, "0-ordered Chi path weighted by valence electrons" 876, , Xp-1dv, ":py:class:`~mordred.Chi.Chi` ('path', 1, 'dv', False)", 2D, "1-ordered Chi path weighted by valence electrons" 877, , Xp-2dv, ":py:class:`~mordred.Chi.Chi` ('path', 2, 'dv', False)", 2D, "2-ordered Chi path weighted by valence electrons" 878, , Xp-3dv, ":py:class:`~mordred.Chi.Chi` ('path', 3, 'dv', False)", 2D, "3-ordered Chi path weighted by valence electrons" 879, , Xp-4dv, ":py:class:`~mordred.Chi.Chi` ('path', 4, 'dv', False)", 2D, "4-ordered Chi path weighted by valence electrons" 880, , Xp-5dv, ":py:class:`~mordred.Chi.Chi` ('path', 5, 'dv', False)", 2D, "5-ordered Chi path weighted by valence electrons" 881, , Xp-6dv, ":py:class:`~mordred.Chi.Chi` ('path', 6, 'dv', False)", 2D, "6-ordered Chi path weighted by valence electrons" 882, , Xp-7dv, ":py:class:`~mordred.Chi.Chi` ('path', 7, 'dv', False)", 2D, "7-ordered Chi path weighted by valence electrons" 883, , AXp-0dv, ":py:class:`~mordred.Chi.Chi` ('path', 0, 'dv', True)", 2D, "0-ordered averaged Chi path weighted by valence electrons" 884, , AXp-1dv, ":py:class:`~mordred.Chi.Chi` ('path', 1, 'dv', True)", 2D, "1-ordered averaged Chi path weighted by valence electrons" 885, , AXp-2dv, ":py:class:`~mordred.Chi.Chi` ('path', 2, 'dv', True)", 2D, "2-ordered averaged Chi path weighted by valence electrons" 886, , AXp-3dv, ":py:class:`~mordred.Chi.Chi` ('path', 3, 'dv', True)", 2D, "3-ordered averaged Chi path weighted by valence electrons" 887, , AXp-4dv, ":py:class:`~mordred.Chi.Chi` ('path', 4, 'dv', True)", 2D, "4-ordered averaged Chi path weighted by valence electrons" 888, , AXp-5dv, ":py:class:`~mordred.Chi.Chi` ('path', 5, 'dv', True)", 2D, "5-ordered averaged Chi path weighted by valence electrons" 889, , AXp-6dv, ":py:class:`~mordred.Chi.Chi` ('path', 6, 'dv', True)", 2D, "6-ordered averaged Chi path weighted by valence electrons" 890, , AXp-7dv, ":py:class:`~mordred.Chi.Chi` ('path', 7, 'dv', True)", 2D, "7-ordered averaged Chi path weighted by valence electrons" 891, :py:mod:`~mordred.Constitutional`, SZ, ":py:class:`~mordred.Constitutional.ConstitutionalSum` ('Z')", 2D, "sum of constitutional weighted by atomic number" 892, , Sm, ":py:class:`~mordred.Constitutional.ConstitutionalSum` ('m')", 2D, "sum of constitutional weighted by mass" 893, , Sv, ":py:class:`~mordred.Constitutional.ConstitutionalSum` ('v')", 2D, "sum of constitutional weighted by vdw volume" 894, , Sse, ":py:class:`~mordred.Constitutional.ConstitutionalSum` ('se')", 2D, "sum of constitutional weighted by sanderson EN" 895, , Spe, ":py:class:`~mordred.Constitutional.ConstitutionalSum` ('pe')", 2D, "sum of constitutional weighted by pauling EN" 896, , Sare, ":py:class:`~mordred.Constitutional.ConstitutionalSum` ('are')", 2D, "sum of constitutional weighted by allred-rocow EN" 897, , Sp, ":py:class:`~mordred.Constitutional.ConstitutionalSum` ('p')", 2D, "sum of constitutional weighted by polarizability" 898, , Si, ":py:class:`~mordred.Constitutional.ConstitutionalSum` ('i')", 2D, "sum of constitutional weighted by ionization potential" 899, , MZ, ":py:class:`~mordred.Constitutional.ConstitutionalMean` ('Z')", 2D, "mean of constitutional weighted by atomic number" 900, , Mm, ":py:class:`~mordred.Constitutional.ConstitutionalMean` ('m')", 2D, "mean of constitutional weighted by mass" 901, , Mv, ":py:class:`~mordred.Constitutional.ConstitutionalMean` ('v')", 2D, "mean of constitutional weighted by vdw volume" 902, , Mse, ":py:class:`~mordred.Constitutional.ConstitutionalMean` ('se')", 2D, "mean of constitutional weighted by sanderson EN" 903, , Mpe, ":py:class:`~mordred.Constitutional.ConstitutionalMean` ('pe')", 2D, "mean of constitutional weighted by pauling EN" 904, , Mare, ":py:class:`~mordred.Constitutional.ConstitutionalMean` ('are')", 2D, "mean of constitutional weighted by allred-rocow EN" 905, , Mp, ":py:class:`~mordred.Constitutional.ConstitutionalMean` ('p')", 2D, "mean of constitutional weighted by polarizability" 906, , Mi, ":py:class:`~mordred.Constitutional.ConstitutionalMean` ('i')", 2D, "mean of constitutional weighted by ionization potential" 907, :py:mod:`~mordred.DetourMatrix`, SpAbs_Dt, ":py:class:`~mordred.DetourMatrix.DetourMatrix` ('SpAbs')", 2D, "graph energy from detourn matrix" 908, , SpMax_Dt, ":py:class:`~mordred.DetourMatrix.DetourMatrix` ('SpMax')", 2D, "leading eigenvalue from detourn matrix" 909, , SpDiam_Dt, ":py:class:`~mordred.DetourMatrix.DetourMatrix` ('SpDiam')", 2D, "spectral diamiter from detourn matrix" 910, , SpAD_Dt, ":py:class:`~mordred.DetourMatrix.DetourMatrix` ('SpAD')", 2D, "spectral absolute diviation from detourn matrix" 911, , SpMAD_Dt, ":py:class:`~mordred.DetourMatrix.DetourMatrix` ('SpMAD')", 2D, "spectral mean absolute diviation from detourn matrix" 912, , LogEE_Dt, ":py:class:`~mordred.DetourMatrix.DetourMatrix` ('LogEE')", 2D, "Estrada-like index from detourn matrix" 913, , SM1_Dt, ":py:class:`~mordred.DetourMatrix.DetourMatrix` ('SM1')", 2D, "spectral moment from detourn matrix" 914, , VE1_Dt, ":py:class:`~mordred.DetourMatrix.DetourMatrix` ('VE1')", 2D, "coefficient sum of the last eigenvector from detourn matrix" 915, , VE2_Dt, ":py:class:`~mordred.DetourMatrix.DetourMatrix` ('VE2')", 2D, "average coefficient of the last eigenvector from detourn matrix" 916, , VE3_Dt, ":py:class:`~mordred.DetourMatrix.DetourMatrix` ('VE3')", 2D, "logarithmic coefficient sum of the last eigenvector from detourn matrix" 917, , VR1_Dt, ":py:class:`~mordred.DetourMatrix.DetourMatrix` ('VR1')", 2D, "Randic-like eigenvector-based index from detourn matrix" 918, , VR2_Dt, ":py:class:`~mordred.DetourMatrix.DetourMatrix` ('VR2')", 2D, "normalized Randic-like eigenvector-based index from detourn matrix" 919, , VR3_Dt, ":py:class:`~mordred.DetourMatrix.DetourMatrix` ('VR3')", 2D, "logarithmic Randic-like eigenvector-based index from detourn matrix" 920, , DetourIndex, ":py:class:`~mordred.DetourMatrix.DetourIndex` ()", 2D, "detour index" 921, :py:mod:`~mordred.DistanceMatrix`, SpAbs_D, ":py:class:`~mordred.DistanceMatrix.DistanceMatrix` ('SpAbs')", 2D, "graph energy from distance matrix" 922, , SpMax_D, ":py:class:`~mordred.DistanceMatrix.DistanceMatrix` ('SpMax')", 2D, "leading eigenvalue from distance matrix" 923, , SpDiam_D, ":py:class:`~mordred.DistanceMatrix.DistanceMatrix` ('SpDiam')", 2D, "spectral diamiter from distance matrix" 924, , SpAD_D, ":py:class:`~mordred.DistanceMatrix.DistanceMatrix` ('SpAD')", 2D, "spectral absolute diviation from distance matrix" 925, , SpMAD_D, ":py:class:`~mordred.DistanceMatrix.DistanceMatrix` ('SpMAD')", 2D, "spectral mean absolute diviation from distance matrix" 926, , LogEE_D, ":py:class:`~mordred.DistanceMatrix.DistanceMatrix` ('LogEE')", 2D, "Estrada-like index from distance matrix" 927, , VE1_D, ":py:class:`~mordred.DistanceMatrix.DistanceMatrix` ('VE1')", 2D, "coefficient sum of the last eigenvector from distance matrix" 928, , VE2_D, ":py:class:`~mordred.DistanceMatrix.DistanceMatrix` ('VE2')", 2D, "average coefficient of the last eigenvector from distance matrix" 929, , VE3_D, ":py:class:`~mordred.DistanceMatrix.DistanceMatrix` ('VE3')", 2D, "logarithmic coefficient sum of the last eigenvector from distance matrix" 930, , VR1_D, ":py:class:`~mordred.DistanceMatrix.DistanceMatrix` ('VR1')", 2D, "Randic-like eigenvector-based index from distance matrix" 931, , VR2_D, ":py:class:`~mordred.DistanceMatrix.DistanceMatrix` ('VR2')", 2D, "normalized Randic-like eigenvector-based index from distance matrix" 932, , VR3_D, ":py:class:`~mordred.DistanceMatrix.DistanceMatrix` ('VR3')", 2D, "logarithmic Randic-like eigenvector-based index from distance matrix" 933, :py:mod:`~mordred.EState`, NsLi, ":py:class:`~mordred.EState.AtomTypeEState` ('count', 'sLi')", 2D, "number of sLi" 934, , NssBe, ":py:class:`~mordred.EState.AtomTypeEState` ('count', 'ssBe')", 2D, "number of ssBe" 935, , NssssBe, ":py:class:`~mordred.EState.AtomTypeEState` ('count', 'ssssBe')", 2D, "number of ssssBe" 936, , NssBH, ":py:class:`~mordred.EState.AtomTypeEState` ('count', 'ssBH')", 2D, "number of ssBH" 937, , NsssB, ":py:class:`~mordred.EState.AtomTypeEState` ('count', 'sssB')", 2D, "number of sssB" 938, , NssssB, ":py:class:`~mordred.EState.AtomTypeEState` ('count', 'ssssB')", 2D, "number of ssssB" 939, , NsCH3, ":py:class:`~mordred.EState.AtomTypeEState` ('count', 'sCH3')", 2D, "number of sCH3" 940, , NdCH2, ":py:class:`~mordred.EState.AtomTypeEState` ('count', 'dCH2')", 2D, "number of dCH2" 941, , NssCH2, ":py:class:`~mordred.EState.AtomTypeEState` ('count', 'ssCH2')", 2D, "number of ssCH2" 942, , NtCH, ":py:class:`~mordred.EState.AtomTypeEState` ('count', 'tCH')", 2D, "number of tCH" 943, , NdsCH, ":py:class:`~mordred.EState.AtomTypeEState` ('count', 'dsCH')", 2D, "number of dsCH" 944, , NaaCH, ":py:class:`~mordred.EState.AtomTypeEState` ('count', 'aaCH')", 2D, "number of aaCH" 945, , NsssCH, ":py:class:`~mordred.EState.AtomTypeEState` ('count', 'sssCH')", 2D, "number of sssCH" 946, , NddC, ":py:class:`~mordred.EState.AtomTypeEState` ('count', 'ddC')", 2D, "number of ddC" 947, , NtsC, ":py:class:`~mordred.EState.AtomTypeEState` ('count', 'tsC')", 2D, "number of tsC" 948, , NdssC, ":py:class:`~mordred.EState.AtomTypeEState` ('count', 'dssC')", 2D, "number of dssC" 949, , NaasC, ":py:class:`~mordred.EState.AtomTypeEState` ('count', 'aasC')", 2D, "number of aasC" 950, , NaaaC, ":py:class:`~mordred.EState.AtomTypeEState` ('count', 'aaaC')", 2D, "number of aaaC" 951, , NssssC, ":py:class:`~mordred.EState.AtomTypeEState` ('count', 'ssssC')", 2D, "number of ssssC" 952, , NsNH3, ":py:class:`~mordred.EState.AtomTypeEState` ('count', 'sNH3')", 2D, "number of sNH3" 953, , NsNH2, ":py:class:`~mordred.EState.AtomTypeEState` ('count', 'sNH2')", 2D, "number of sNH2" 954, , NssNH2, ":py:class:`~mordred.EState.AtomTypeEState` ('count', 'ssNH2')", 2D, "number of ssNH2" 955, , NdNH, ":py:class:`~mordred.EState.AtomTypeEState` ('count', 'dNH')", 2D, "number of dNH" 956, , NssNH, ":py:class:`~mordred.EState.AtomTypeEState` ('count', 'ssNH')", 2D, "number of ssNH" 957, , NaaNH, ":py:class:`~mordred.EState.AtomTypeEState` ('count', 'aaNH')", 2D, "number of aaNH" 958, , NtN, ":py:class:`~mordred.EState.AtomTypeEState` ('count', 'tN')", 2D, "number of tN" 959, , NsssNH, ":py:class:`~mordred.EState.AtomTypeEState` ('count', 'sssNH')", 2D, "number of sssNH" 960, , NdsN, ":py:class:`~mordred.EState.AtomTypeEState` ('count', 'dsN')", 2D, "number of dsN" 961, , NaaN, ":py:class:`~mordred.EState.AtomTypeEState` ('count', 'aaN')", 2D, "number of aaN" 962, , NsssN, ":py:class:`~mordred.EState.AtomTypeEState` ('count', 'sssN')", 2D, "number of sssN" 963, , NddsN, ":py:class:`~mordred.EState.AtomTypeEState` ('count', 'ddsN')", 2D, "number of ddsN" 964, , NaasN, ":py:class:`~mordred.EState.AtomTypeEState` ('count', 'aasN')", 2D, "number of aasN" 965, , NssssN, ":py:class:`~mordred.EState.AtomTypeEState` ('count', 'ssssN')", 2D, "number of ssssN" 966, , NsOH, ":py:class:`~mordred.EState.AtomTypeEState` ('count', 'sOH')", 2D, "number of sOH" 967, , NdO, ":py:class:`~mordred.EState.AtomTypeEState` ('count', 'dO')", 2D, "number of dO" 968, , NssO, ":py:class:`~mordred.EState.AtomTypeEState` ('count', 'ssO')", 2D, "number of ssO" 969, , NaaO, ":py:class:`~mordred.EState.AtomTypeEState` ('count', 'aaO')", 2D, "number of aaO" 970, , NsF, ":py:class:`~mordred.EState.AtomTypeEState` ('count', 'sF')", 2D, "number of sF" 971, , NsSiH3, ":py:class:`~mordred.EState.AtomTypeEState` ('count', 'sSiH3')", 2D, "number of sSiH3" 972, , NssSiH2, ":py:class:`~mordred.EState.AtomTypeEState` ('count', 'ssSiH2')", 2D, "number of ssSiH2" 973, , NsssSiH, ":py:class:`~mordred.EState.AtomTypeEState` ('count', 'sssSiH')", 2D, "number of sssSiH" 974, , NssssSi, ":py:class:`~mordred.EState.AtomTypeEState` ('count', 'ssssSi')", 2D, "number of ssssSi" 975, , NsPH2, ":py:class:`~mordred.EState.AtomTypeEState` ('count', 'sPH2')", 2D, "number of sPH2" 976, , NssPH, ":py:class:`~mordred.EState.AtomTypeEState` ('count', 'ssPH')", 2D, "number of ssPH" 977, , NsssP, ":py:class:`~mordred.EState.AtomTypeEState` ('count', 'sssP')", 2D, "number of sssP" 978, , NdsssP, ":py:class:`~mordred.EState.AtomTypeEState` ('count', 'dsssP')", 2D, "number of dsssP" 979, , NsssssP, ":py:class:`~mordred.EState.AtomTypeEState` ('count', 'sssssP')", 2D, "number of sssssP" 980, , NsSH, ":py:class:`~mordred.EState.AtomTypeEState` ('count', 'sSH')", 2D, "number of sSH" 981, , NdS, ":py:class:`~mordred.EState.AtomTypeEState` ('count', 'dS')", 2D, "number of dS" 982, , NssS, ":py:class:`~mordred.EState.AtomTypeEState` ('count', 'ssS')", 2D, "number of ssS" 983, , NaaS, ":py:class:`~mordred.EState.AtomTypeEState` ('count', 'aaS')", 2D, "number of aaS" 984, , NdssS, ":py:class:`~mordred.EState.AtomTypeEState` ('count', 'dssS')", 2D, "number of dssS" 985, , NddssS, ":py:class:`~mordred.EState.AtomTypeEState` ('count', 'ddssS')", 2D, "number of ddssS" 986, , NsCl, ":py:class:`~mordred.EState.AtomTypeEState` ('count', 'sCl')", 2D, "number of sCl" 987, , NsGeH3, ":py:class:`~mordred.EState.AtomTypeEState` ('count', 'sGeH3')", 2D, "number of sGeH3" 988, , NssGeH2, ":py:class:`~mordred.EState.AtomTypeEState` ('count', 'ssGeH2')", 2D, "number of ssGeH2" 989, , NsssGeH, ":py:class:`~mordred.EState.AtomTypeEState` ('count', 'sssGeH')", 2D, "number of sssGeH" 990, , NssssGe, ":py:class:`~mordred.EState.AtomTypeEState` ('count', 'ssssGe')", 2D, "number of ssssGe" 991, , NsAsH2, ":py:class:`~mordred.EState.AtomTypeEState` ('count', 'sAsH2')", 2D, "number of sAsH2" 992, , NssAsH, ":py:class:`~mordred.EState.AtomTypeEState` ('count', 'ssAsH')", 2D, "number of ssAsH" 993, , NsssAs, ":py:class:`~mordred.EState.AtomTypeEState` ('count', 'sssAs')", 2D, "number of sssAs" 994, , NsssdAs, ":py:class:`~mordred.EState.AtomTypeEState` ('count', 'sssdAs')", 2D, "number of sssdAs" 995, , NsssssAs, ":py:class:`~mordred.EState.AtomTypeEState` ('count', 'sssssAs')", 2D, "number of sssssAs" 996, , NsSeH, ":py:class:`~mordred.EState.AtomTypeEState` ('count', 'sSeH')", 2D, "number of sSeH" 997, , NdSe, ":py:class:`~mordred.EState.AtomTypeEState` ('count', 'dSe')", 2D, "number of dSe" 998, , NssSe, ":py:class:`~mordred.EState.AtomTypeEState` ('count', 'ssSe')", 2D, "number of ssSe" 999, , NaaSe, ":py:class:`~mordred.EState.AtomTypeEState` ('count', 'aaSe')", 2D, "number of aaSe" 1000, , NdssSe, ":py:class:`~mordred.EState.AtomTypeEState` ('count', 'dssSe')", 2D, "number of dssSe" 1001, , NddssSe, ":py:class:`~mordred.EState.AtomTypeEState` ('count', 'ddssSe')", 2D, "number of ddssSe" 1002, , NsBr, ":py:class:`~mordred.EState.AtomTypeEState` ('count', 'sBr')", 2D, "number of sBr" 1003, , NsSnH3, ":py:class:`~mordred.EState.AtomTypeEState` ('count', 'sSnH3')", 2D, "number of sSnH3" 1004, , NssSnH2, ":py:class:`~mordred.EState.AtomTypeEState` ('count', 'ssSnH2')", 2D, "number of ssSnH2" 1005, , NsssSnH, ":py:class:`~mordred.EState.AtomTypeEState` ('count', 'sssSnH')", 2D, "number of sssSnH" 1006, , NssssSn, ":py:class:`~mordred.EState.AtomTypeEState` ('count', 'ssssSn')", 2D, "number of ssssSn" 1007, , NsI, ":py:class:`~mordred.EState.AtomTypeEState` ('count', 'sI')", 2D, "number of sI" 1008, , NsPbH3, ":py:class:`~mordred.EState.AtomTypeEState` ('count', 'sPbH3')", 2D, "number of sPbH3" 1009, , NssPbH2, ":py:class:`~mordred.EState.AtomTypeEState` ('count', 'ssPbH2')", 2D, "number of ssPbH2" 1010, , NsssPbH, ":py:class:`~mordred.EState.AtomTypeEState` ('count', 'sssPbH')", 2D, "number of sssPbH" 1011, , NssssPb, ":py:class:`~mordred.EState.AtomTypeEState` ('count', 'ssssPb')", 2D, "number of ssssPb" 1012, , SsLi, ":py:class:`~mordred.EState.AtomTypeEState` ('sum', 'sLi')", 2D, "sum of sLi" 1013, , SssBe, ":py:class:`~mordred.EState.AtomTypeEState` ('sum', 'ssBe')", 2D, "sum of ssBe" 1014, , SssssBe, ":py:class:`~mordred.EState.AtomTypeEState` ('sum', 'ssssBe')", 2D, "sum of ssssBe" 1015, , SssBH, ":py:class:`~mordred.EState.AtomTypeEState` ('sum', 'ssBH')", 2D, "sum of ssBH" 1016, , SsssB, ":py:class:`~mordred.EState.AtomTypeEState` ('sum', 'sssB')", 2D, "sum of sssB" 1017, , SssssB, ":py:class:`~mordred.EState.AtomTypeEState` ('sum', 'ssssB')", 2D, "sum of ssssB" 1018, , SsCH3, ":py:class:`~mordred.EState.AtomTypeEState` ('sum', 'sCH3')", 2D, "sum of sCH3" 1019, , SdCH2, ":py:class:`~mordred.EState.AtomTypeEState` ('sum', 'dCH2')", 2D, "sum of dCH2" 1020, , SssCH2, ":py:class:`~mordred.EState.AtomTypeEState` ('sum', 'ssCH2')", 2D, "sum of ssCH2" 1021, , StCH, ":py:class:`~mordred.EState.AtomTypeEState` ('sum', 'tCH')", 2D, "sum of tCH" 1022, , SdsCH, ":py:class:`~mordred.EState.AtomTypeEState` ('sum', 'dsCH')", 2D, "sum of dsCH" 1023, , SaaCH, ":py:class:`~mordred.EState.AtomTypeEState` ('sum', 'aaCH')", 2D, "sum of aaCH" 1024, , SsssCH, ":py:class:`~mordred.EState.AtomTypeEState` ('sum', 'sssCH')", 2D, "sum of sssCH" 1025, , SddC, ":py:class:`~mordred.EState.AtomTypeEState` ('sum', 'ddC')", 2D, "sum of ddC" 1026, , StsC, ":py:class:`~mordred.EState.AtomTypeEState` ('sum', 'tsC')", 2D, "sum of tsC" 1027, , SdssC, ":py:class:`~mordred.EState.AtomTypeEState` ('sum', 'dssC')", 2D, "sum of dssC" 1028, , SaasC, ":py:class:`~mordred.EState.AtomTypeEState` ('sum', 'aasC')", 2D, "sum of aasC" 1029, , SaaaC, ":py:class:`~mordred.EState.AtomTypeEState` ('sum', 'aaaC')", 2D, "sum of aaaC" 1030, , SssssC, ":py:class:`~mordred.EState.AtomTypeEState` ('sum', 'ssssC')", 2D, "sum of ssssC" 1031, , SsNH3, ":py:class:`~mordred.EState.AtomTypeEState` ('sum', 'sNH3')", 2D, "sum of sNH3" 1032, , SsNH2, ":py:class:`~mordred.EState.AtomTypeEState` ('sum', 'sNH2')", 2D, "sum of sNH2" 1033, , SssNH2, ":py:class:`~mordred.EState.AtomTypeEState` ('sum', 'ssNH2')", 2D, "sum of ssNH2" 1034, , SdNH, ":py:class:`~mordred.EState.AtomTypeEState` ('sum', 'dNH')", 2D, "sum of dNH" 1035, , SssNH, ":py:class:`~mordred.EState.AtomTypeEState` ('sum', 'ssNH')", 2D, "sum of ssNH" 1036, , SaaNH, ":py:class:`~mordred.EState.AtomTypeEState` ('sum', 'aaNH')", 2D, "sum of aaNH" 1037, , StN, ":py:class:`~mordred.EState.AtomTypeEState` ('sum', 'tN')", 2D, "sum of tN" 1038, , SsssNH, ":py:class:`~mordred.EState.AtomTypeEState` ('sum', 'sssNH')", 2D, "sum of sssNH" 1039, , SdsN, ":py:class:`~mordred.EState.AtomTypeEState` ('sum', 'dsN')", 2D, "sum of dsN" 1040, , SaaN, ":py:class:`~mordred.EState.AtomTypeEState` ('sum', 'aaN')", 2D, "sum of aaN" 1041, , SsssN, ":py:class:`~mordred.EState.AtomTypeEState` ('sum', 'sssN')", 2D, "sum of sssN" 1042, , SddsN, ":py:class:`~mordred.EState.AtomTypeEState` ('sum', 'ddsN')", 2D, "sum of ddsN" 1043, , SaasN, ":py:class:`~mordred.EState.AtomTypeEState` ('sum', 'aasN')", 2D, "sum of aasN" 1044, , SssssN, ":py:class:`~mordred.EState.AtomTypeEState` ('sum', 'ssssN')", 2D, "sum of ssssN" 1045, , SsOH, ":py:class:`~mordred.EState.AtomTypeEState` ('sum', 'sOH')", 2D, "sum of sOH" 1046, , SdO, ":py:class:`~mordred.EState.AtomTypeEState` ('sum', 'dO')", 2D, "sum of dO" 1047, , SssO, ":py:class:`~mordred.EState.AtomTypeEState` ('sum', 'ssO')", 2D, "sum of ssO" 1048, , SaaO, ":py:class:`~mordred.EState.AtomTypeEState` ('sum', 'aaO')", 2D, "sum of aaO" 1049, , SsF, ":py:class:`~mordred.EState.AtomTypeEState` ('sum', 'sF')", 2D, "sum of sF" 1050, , SsSiH3, ":py:class:`~mordred.EState.AtomTypeEState` ('sum', 'sSiH3')", 2D, "sum of sSiH3" 1051, , SssSiH2, ":py:class:`~mordred.EState.AtomTypeEState` ('sum', 'ssSiH2')", 2D, "sum of ssSiH2" 1052, , SsssSiH, ":py:class:`~mordred.EState.AtomTypeEState` ('sum', 'sssSiH')", 2D, "sum of sssSiH" 1053, , SssssSi, ":py:class:`~mordred.EState.AtomTypeEState` ('sum', 'ssssSi')", 2D, "sum of ssssSi" 1054, , SsPH2, ":py:class:`~mordred.EState.AtomTypeEState` ('sum', 'sPH2')", 2D, "sum of sPH2" 1055, , SssPH, ":py:class:`~mordred.EState.AtomTypeEState` ('sum', 'ssPH')", 2D, "sum of ssPH" 1056, , SsssP, ":py:class:`~mordred.EState.AtomTypeEState` ('sum', 'sssP')", 2D, "sum of sssP" 1057, , SdsssP, ":py:class:`~mordred.EState.AtomTypeEState` ('sum', 'dsssP')", 2D, "sum of dsssP" 1058, , SsssssP, ":py:class:`~mordred.EState.AtomTypeEState` ('sum', 'sssssP')", 2D, "sum of sssssP" 1059, , SsSH, ":py:class:`~mordred.EState.AtomTypeEState` ('sum', 'sSH')", 2D, "sum of sSH" 1060, , SdS, ":py:class:`~mordred.EState.AtomTypeEState` ('sum', 'dS')", 2D, "sum of dS" 1061, , SssS, ":py:class:`~mordred.EState.AtomTypeEState` ('sum', 'ssS')", 2D, "sum of ssS" 1062, , SaaS, ":py:class:`~mordred.EState.AtomTypeEState` ('sum', 'aaS')", 2D, "sum of aaS" 1063, , SdssS, ":py:class:`~mordred.EState.AtomTypeEState` ('sum', 'dssS')", 2D, "sum of dssS" 1064, , SddssS, ":py:class:`~mordred.EState.AtomTypeEState` ('sum', 'ddssS')", 2D, "sum of ddssS" 1065, , SsCl, ":py:class:`~mordred.EState.AtomTypeEState` ('sum', 'sCl')", 2D, "sum of sCl" 1066, , SsGeH3, ":py:class:`~mordred.EState.AtomTypeEState` ('sum', 'sGeH3')", 2D, "sum of sGeH3" 1067, , SssGeH2, ":py:class:`~mordred.EState.AtomTypeEState` ('sum', 'ssGeH2')", 2D, "sum of ssGeH2" 1068, , SsssGeH, ":py:class:`~mordred.EState.AtomTypeEState` ('sum', 'sssGeH')", 2D, "sum of sssGeH" 1069, , SssssGe, ":py:class:`~mordred.EState.AtomTypeEState` ('sum', 'ssssGe')", 2D, "sum of ssssGe" 1070, , SsAsH2, ":py:class:`~mordred.EState.AtomTypeEState` ('sum', 'sAsH2')", 2D, "sum of sAsH2" 1071, , SssAsH, ":py:class:`~mordred.EState.AtomTypeEState` ('sum', 'ssAsH')", 2D, "sum of ssAsH" 1072, , SsssAs, ":py:class:`~mordred.EState.AtomTypeEState` ('sum', 'sssAs')", 2D, "sum of sssAs" 1073, , SsssdAs, ":py:class:`~mordred.EState.AtomTypeEState` ('sum', 'sssdAs')", 2D, "sum of sssdAs" 1074, , SsssssAs, ":py:class:`~mordred.EState.AtomTypeEState` ('sum', 'sssssAs')", 2D, "sum of sssssAs" 1075, , SsSeH, ":py:class:`~mordred.EState.AtomTypeEState` ('sum', 'sSeH')", 2D, "sum of sSeH" 1076, , SdSe, ":py:class:`~mordred.EState.AtomTypeEState` ('sum', 'dSe')", 2D, "sum of dSe" 1077, , SssSe, ":py:class:`~mordred.EState.AtomTypeEState` ('sum', 'ssSe')", 2D, "sum of ssSe" 1078, , SaaSe, ":py:class:`~mordred.EState.AtomTypeEState` ('sum', 'aaSe')", 2D, "sum of aaSe" 1079, , SdssSe, ":py:class:`~mordred.EState.AtomTypeEState` ('sum', 'dssSe')", 2D, "sum of dssSe" 1080, , SddssSe, ":py:class:`~mordred.EState.AtomTypeEState` ('sum', 'ddssSe')", 2D, "sum of ddssSe" 1081, , SsBr, ":py:class:`~mordred.EState.AtomTypeEState` ('sum', 'sBr')", 2D, "sum of sBr" 1082, , SsSnH3, ":py:class:`~mordred.EState.AtomTypeEState` ('sum', 'sSnH3')", 2D, "sum of sSnH3" 1083, , SssSnH2, ":py:class:`~mordred.EState.AtomTypeEState` ('sum', 'ssSnH2')", 2D, "sum of ssSnH2" 1084, , SsssSnH, ":py:class:`~mordred.EState.AtomTypeEState` ('sum', 'sssSnH')", 2D, "sum of sssSnH" 1085, , SssssSn, ":py:class:`~mordred.EState.AtomTypeEState` ('sum', 'ssssSn')", 2D, "sum of ssssSn" 1086, , SsI, ":py:class:`~mordred.EState.AtomTypeEState` ('sum', 'sI')", 2D, "sum of sI" 1087, , SsPbH3, ":py:class:`~mordred.EState.AtomTypeEState` ('sum', 'sPbH3')", 2D, "sum of sPbH3" 1088, , SssPbH2, ":py:class:`~mordred.EState.AtomTypeEState` ('sum', 'ssPbH2')", 2D, "sum of ssPbH2" 1089, , SsssPbH, ":py:class:`~mordred.EState.AtomTypeEState` ('sum', 'sssPbH')", 2D, "sum of sssPbH" 1090, , SssssPb, ":py:class:`~mordred.EState.AtomTypeEState` ('sum', 'ssssPb')", 2D, "sum of ssssPb" 1091, , MAXsLi, ":py:class:`~mordred.EState.AtomTypeEState` ('max', 'sLi')", 2D, "max of sLi" 1092, , MAXssBe, ":py:class:`~mordred.EState.AtomTypeEState` ('max', 'ssBe')", 2D, "max of ssBe" 1093, , MAXssssBe, ":py:class:`~mordred.EState.AtomTypeEState` ('max', 'ssssBe')", 2D, "max of ssssBe" 1094, , MAXssBH, ":py:class:`~mordred.EState.AtomTypeEState` ('max', 'ssBH')", 2D, "max of ssBH" 1095, , MAXsssB, ":py:class:`~mordred.EState.AtomTypeEState` ('max', 'sssB')", 2D, "max of sssB" 1096, , MAXssssB, ":py:class:`~mordred.EState.AtomTypeEState` ('max', 'ssssB')", 2D, "max of ssssB" 1097, , MAXsCH3, ":py:class:`~mordred.EState.AtomTypeEState` ('max', 'sCH3')", 2D, "max of sCH3" 1098, , MAXdCH2, ":py:class:`~mordred.EState.AtomTypeEState` ('max', 'dCH2')", 2D, "max of dCH2" 1099, , MAXssCH2, ":py:class:`~mordred.EState.AtomTypeEState` ('max', 'ssCH2')", 2D, "max of ssCH2" 1100, , MAXtCH, ":py:class:`~mordred.EState.AtomTypeEState` ('max', 'tCH')", 2D, "max of tCH" 1101, , MAXdsCH, ":py:class:`~mordred.EState.AtomTypeEState` ('max', 'dsCH')", 2D, "max of dsCH" 1102, , MAXaaCH, ":py:class:`~mordred.EState.AtomTypeEState` ('max', 'aaCH')", 2D, "max of aaCH" 1103, , MAXsssCH, ":py:class:`~mordred.EState.AtomTypeEState` ('max', 'sssCH')", 2D, "max of sssCH" 1104, , MAXddC, ":py:class:`~mordred.EState.AtomTypeEState` ('max', 'ddC')", 2D, "max of ddC" 1105, , MAXtsC, ":py:class:`~mordred.EState.AtomTypeEState` ('max', 'tsC')", 2D, "max of tsC" 1106, , MAXdssC, ":py:class:`~mordred.EState.AtomTypeEState` ('max', 'dssC')", 2D, "max of dssC" 1107, , MAXaasC, ":py:class:`~mordred.EState.AtomTypeEState` ('max', 'aasC')", 2D, "max of aasC" 1108, , MAXaaaC, ":py:class:`~mordred.EState.AtomTypeEState` ('max', 'aaaC')", 2D, "max of aaaC" 1109, , MAXssssC, ":py:class:`~mordred.EState.AtomTypeEState` ('max', 'ssssC')", 2D, "max of ssssC" 1110, , MAXsNH3, ":py:class:`~mordred.EState.AtomTypeEState` ('max', 'sNH3')", 2D, "max of sNH3" 1111, , MAXsNH2, ":py:class:`~mordred.EState.AtomTypeEState` ('max', 'sNH2')", 2D, "max of sNH2" 1112, , MAXssNH2, ":py:class:`~mordred.EState.AtomTypeEState` ('max', 'ssNH2')", 2D, "max of ssNH2" 1113, , MAXdNH, ":py:class:`~mordred.EState.AtomTypeEState` ('max', 'dNH')", 2D, "max of dNH" 1114, , MAXssNH, ":py:class:`~mordred.EState.AtomTypeEState` ('max', 'ssNH')", 2D, "max of ssNH" 1115, , MAXaaNH, ":py:class:`~mordred.EState.AtomTypeEState` ('max', 'aaNH')", 2D, "max of aaNH" 1116, , MAXtN, ":py:class:`~mordred.EState.AtomTypeEState` ('max', 'tN')", 2D, "max of tN" 1117, , MAXsssNH, ":py:class:`~mordred.EState.AtomTypeEState` ('max', 'sssNH')", 2D, "max of sssNH" 1118, , MAXdsN, ":py:class:`~mordred.EState.AtomTypeEState` ('max', 'dsN')", 2D, "max of dsN" 1119, , MAXaaN, ":py:class:`~mordred.EState.AtomTypeEState` ('max', 'aaN')", 2D, "max of aaN" 1120, , MAXsssN, ":py:class:`~mordred.EState.AtomTypeEState` ('max', 'sssN')", 2D, "max of sssN" 1121, , MAXddsN, ":py:class:`~mordred.EState.AtomTypeEState` ('max', 'ddsN')", 2D, "max of ddsN" 1122, , MAXaasN, ":py:class:`~mordred.EState.AtomTypeEState` ('max', 'aasN')", 2D, "max of aasN" 1123, , MAXssssN, ":py:class:`~mordred.EState.AtomTypeEState` ('max', 'ssssN')", 2D, "max of ssssN" 1124, , MAXsOH, ":py:class:`~mordred.EState.AtomTypeEState` ('max', 'sOH')", 2D, "max of sOH" 1125, , MAXdO, ":py:class:`~mordred.EState.AtomTypeEState` ('max', 'dO')", 2D, "max of dO" 1126, , MAXssO, ":py:class:`~mordred.EState.AtomTypeEState` ('max', 'ssO')", 2D, "max of ssO" 1127, , MAXaaO, ":py:class:`~mordred.EState.AtomTypeEState` ('max', 'aaO')", 2D, "max of aaO" 1128, , MAXsF, ":py:class:`~mordred.EState.AtomTypeEState` ('max', 'sF')", 2D, "max of sF" 1129, , MAXsSiH3, ":py:class:`~mordred.EState.AtomTypeEState` ('max', 'sSiH3')", 2D, "max of sSiH3" 1130, , MAXssSiH2, ":py:class:`~mordred.EState.AtomTypeEState` ('max', 'ssSiH2')", 2D, "max of ssSiH2" 1131, , MAXsssSiH, ":py:class:`~mordred.EState.AtomTypeEState` ('max', 'sssSiH')", 2D, "max of sssSiH" 1132, , MAXssssSi, ":py:class:`~mordred.EState.AtomTypeEState` ('max', 'ssssSi')", 2D, "max of ssssSi" 1133, , MAXsPH2, ":py:class:`~mordred.EState.AtomTypeEState` ('max', 'sPH2')", 2D, "max of sPH2" 1134, , MAXssPH, ":py:class:`~mordred.EState.AtomTypeEState` ('max', 'ssPH')", 2D, "max of ssPH" 1135, , MAXsssP, ":py:class:`~mordred.EState.AtomTypeEState` ('max', 'sssP')", 2D, "max of sssP" 1136, , MAXdsssP, ":py:class:`~mordred.EState.AtomTypeEState` ('max', 'dsssP')", 2D, "max of dsssP" 1137, , MAXsssssP, ":py:class:`~mordred.EState.AtomTypeEState` ('max', 'sssssP')", 2D, "max of sssssP" 1138, , MAXsSH, ":py:class:`~mordred.EState.AtomTypeEState` ('max', 'sSH')", 2D, "max of sSH" 1139, , MAXdS, ":py:class:`~mordred.EState.AtomTypeEState` ('max', 'dS')", 2D, "max of dS" 1140, , MAXssS, ":py:class:`~mordred.EState.AtomTypeEState` ('max', 'ssS')", 2D, "max of ssS" 1141, , MAXaaS, ":py:class:`~mordred.EState.AtomTypeEState` ('max', 'aaS')", 2D, "max of aaS" 1142, , MAXdssS, ":py:class:`~mordred.EState.AtomTypeEState` ('max', 'dssS')", 2D, "max of dssS" 1143, , MAXddssS, ":py:class:`~mordred.EState.AtomTypeEState` ('max', 'ddssS')", 2D, "max of ddssS" 1144, , MAXsCl, ":py:class:`~mordred.EState.AtomTypeEState` ('max', 'sCl')", 2D, "max of sCl" 1145, , MAXsGeH3, ":py:class:`~mordred.EState.AtomTypeEState` ('max', 'sGeH3')", 2D, "max of sGeH3" 1146, , MAXssGeH2, ":py:class:`~mordred.EState.AtomTypeEState` ('max', 'ssGeH2')", 2D, "max of ssGeH2" 1147, , MAXsssGeH, ":py:class:`~mordred.EState.AtomTypeEState` ('max', 'sssGeH')", 2D, "max of sssGeH" 1148, , MAXssssGe, ":py:class:`~mordred.EState.AtomTypeEState` ('max', 'ssssGe')", 2D, "max of ssssGe" 1149, , MAXsAsH2, ":py:class:`~mordred.EState.AtomTypeEState` ('max', 'sAsH2')", 2D, "max of sAsH2" 1150, , MAXssAsH, ":py:class:`~mordred.EState.AtomTypeEState` ('max', 'ssAsH')", 2D, "max of ssAsH" 1151, , MAXsssAs, ":py:class:`~mordred.EState.AtomTypeEState` ('max', 'sssAs')", 2D, "max of sssAs" 1152, , MAXsssdAs, ":py:class:`~mordred.EState.AtomTypeEState` ('max', 'sssdAs')", 2D, "max of sssdAs" 1153, , MAXsssssAs, ":py:class:`~mordred.EState.AtomTypeEState` ('max', 'sssssAs')", 2D, "max of sssssAs" 1154, , MAXsSeH, ":py:class:`~mordred.EState.AtomTypeEState` ('max', 'sSeH')", 2D, "max of sSeH" 1155, , MAXdSe, ":py:class:`~mordred.EState.AtomTypeEState` ('max', 'dSe')", 2D, "max of dSe" 1156, , MAXssSe, ":py:class:`~mordred.EState.AtomTypeEState` ('max', 'ssSe')", 2D, "max of ssSe" 1157, , MAXaaSe, ":py:class:`~mordred.EState.AtomTypeEState` ('max', 'aaSe')", 2D, "max of aaSe" 1158, , MAXdssSe, ":py:class:`~mordred.EState.AtomTypeEState` ('max', 'dssSe')", 2D, "max of dssSe" 1159, , MAXddssSe, ":py:class:`~mordred.EState.AtomTypeEState` ('max', 'ddssSe')", 2D, "max of ddssSe" 1160, , MAXsBr, ":py:class:`~mordred.EState.AtomTypeEState` ('max', 'sBr')", 2D, "max of sBr" 1161, , MAXsSnH3, ":py:class:`~mordred.EState.AtomTypeEState` ('max', 'sSnH3')", 2D, "max of sSnH3" 1162, , MAXssSnH2, ":py:class:`~mordred.EState.AtomTypeEState` ('max', 'ssSnH2')", 2D, "max of ssSnH2" 1163, , MAXsssSnH, ":py:class:`~mordred.EState.AtomTypeEState` ('max', 'sssSnH')", 2D, "max of sssSnH" 1164, , MAXssssSn, ":py:class:`~mordred.EState.AtomTypeEState` ('max', 'ssssSn')", 2D, "max of ssssSn" 1165, , MAXsI, ":py:class:`~mordred.EState.AtomTypeEState` ('max', 'sI')", 2D, "max of sI" 1166, , MAXsPbH3, ":py:class:`~mordred.EState.AtomTypeEState` ('max', 'sPbH3')", 2D, "max of sPbH3" 1167, , MAXssPbH2, ":py:class:`~mordred.EState.AtomTypeEState` ('max', 'ssPbH2')", 2D, "max of ssPbH2" 1168, , MAXsssPbH, ":py:class:`~mordred.EState.AtomTypeEState` ('max', 'sssPbH')", 2D, "max of sssPbH" 1169, , MAXssssPb, ":py:class:`~mordred.EState.AtomTypeEState` ('max', 'ssssPb')", 2D, "max of ssssPb" 1170, , MINsLi, ":py:class:`~mordred.EState.AtomTypeEState` ('min', 'sLi')", 2D, "min of sLi" 1171, , MINssBe, ":py:class:`~mordred.EState.AtomTypeEState` ('min', 'ssBe')", 2D, "min of ssBe" 1172, , MINssssBe, ":py:class:`~mordred.EState.AtomTypeEState` ('min', 'ssssBe')", 2D, "min of ssssBe" 1173, , MINssBH, ":py:class:`~mordred.EState.AtomTypeEState` ('min', 'ssBH')", 2D, "min of ssBH" 1174, , MINsssB, ":py:class:`~mordred.EState.AtomTypeEState` ('min', 'sssB')", 2D, "min of sssB" 1175, , MINssssB, ":py:class:`~mordred.EState.AtomTypeEState` ('min', 'ssssB')", 2D, "min of ssssB" 1176, , MINsCH3, ":py:class:`~mordred.EState.AtomTypeEState` ('min', 'sCH3')", 2D, "min of sCH3" 1177, , MINdCH2, ":py:class:`~mordred.EState.AtomTypeEState` ('min', 'dCH2')", 2D, "min of dCH2" 1178, , MINssCH2, ":py:class:`~mordred.EState.AtomTypeEState` ('min', 'ssCH2')", 2D, "min of ssCH2" 1179, , MINtCH, ":py:class:`~mordred.EState.AtomTypeEState` ('min', 'tCH')", 2D, "min of tCH" 1180, , MINdsCH, ":py:class:`~mordred.EState.AtomTypeEState` ('min', 'dsCH')", 2D, "min of dsCH" 1181, , MINaaCH, ":py:class:`~mordred.EState.AtomTypeEState` ('min', 'aaCH')", 2D, "min of aaCH" 1182, , MINsssCH, ":py:class:`~mordred.EState.AtomTypeEState` ('min', 'sssCH')", 2D, "min of sssCH" 1183, , MINddC, ":py:class:`~mordred.EState.AtomTypeEState` ('min', 'ddC')", 2D, "min of ddC" 1184, , MINtsC, ":py:class:`~mordred.EState.AtomTypeEState` ('min', 'tsC')", 2D, "min of tsC" 1185, , MINdssC, ":py:class:`~mordred.EState.AtomTypeEState` ('min', 'dssC')", 2D, "min of dssC" 1186, , MINaasC, ":py:class:`~mordred.EState.AtomTypeEState` ('min', 'aasC')", 2D, "min of aasC" 1187, , MINaaaC, ":py:class:`~mordred.EState.AtomTypeEState` ('min', 'aaaC')", 2D, "min of aaaC" 1188, , MINssssC, ":py:class:`~mordred.EState.AtomTypeEState` ('min', 'ssssC')", 2D, "min of ssssC" 1189, , MINsNH3, ":py:class:`~mordred.EState.AtomTypeEState` ('min', 'sNH3')", 2D, "min of sNH3" 1190, , MINsNH2, ":py:class:`~mordred.EState.AtomTypeEState` ('min', 'sNH2')", 2D, "min of sNH2" 1191, , MINssNH2, ":py:class:`~mordred.EState.AtomTypeEState` ('min', 'ssNH2')", 2D, "min of ssNH2" 1192, , MINdNH, ":py:class:`~mordred.EState.AtomTypeEState` ('min', 'dNH')", 2D, "min of dNH" 1193, , MINssNH, ":py:class:`~mordred.EState.AtomTypeEState` ('min', 'ssNH')", 2D, "min of ssNH" 1194, , MINaaNH, ":py:class:`~mordred.EState.AtomTypeEState` ('min', 'aaNH')", 2D, "min of aaNH" 1195, , MINtN, ":py:class:`~mordred.EState.AtomTypeEState` ('min', 'tN')", 2D, "min of tN" 1196, , MINsssNH, ":py:class:`~mordred.EState.AtomTypeEState` ('min', 'sssNH')", 2D, "min of sssNH" 1197, , MINdsN, ":py:class:`~mordred.EState.AtomTypeEState` ('min', 'dsN')", 2D, "min of dsN" 1198, , MINaaN, ":py:class:`~mordred.EState.AtomTypeEState` ('min', 'aaN')", 2D, "min of aaN" 1199, , MINsssN, ":py:class:`~mordred.EState.AtomTypeEState` ('min', 'sssN')", 2D, "min of sssN" 1200, , MINddsN, ":py:class:`~mordred.EState.AtomTypeEState` ('min', 'ddsN')", 2D, "min of ddsN" 1201, , MINaasN, ":py:class:`~mordred.EState.AtomTypeEState` ('min', 'aasN')", 2D, "min of aasN" 1202, , MINssssN, ":py:class:`~mordred.EState.AtomTypeEState` ('min', 'ssssN')", 2D, "min of ssssN" 1203, , MINsOH, ":py:class:`~mordred.EState.AtomTypeEState` ('min', 'sOH')", 2D, "min of sOH" 1204, , MINdO, ":py:class:`~mordred.EState.AtomTypeEState` ('min', 'dO')", 2D, "min of dO" 1205, , MINssO, ":py:class:`~mordred.EState.AtomTypeEState` ('min', 'ssO')", 2D, "min of ssO" 1206, , MINaaO, ":py:class:`~mordred.EState.AtomTypeEState` ('min', 'aaO')", 2D, "min of aaO" 1207, , MINsF, ":py:class:`~mordred.EState.AtomTypeEState` ('min', 'sF')", 2D, "min of sF" 1208, , MINsSiH3, ":py:class:`~mordred.EState.AtomTypeEState` ('min', 'sSiH3')", 2D, "min of sSiH3" 1209, , MINssSiH2, ":py:class:`~mordred.EState.AtomTypeEState` ('min', 'ssSiH2')", 2D, "min of ssSiH2" 1210, , MINsssSiH, ":py:class:`~mordred.EState.AtomTypeEState` ('min', 'sssSiH')", 2D, "min of sssSiH" 1211, , MINssssSi, ":py:class:`~mordred.EState.AtomTypeEState` ('min', 'ssssSi')", 2D, "min of ssssSi" 1212, , MINsPH2, ":py:class:`~mordred.EState.AtomTypeEState` ('min', 'sPH2')", 2D, "min of sPH2" 1213, , MINssPH, ":py:class:`~mordred.EState.AtomTypeEState` ('min', 'ssPH')", 2D, "min of ssPH" 1214, , MINsssP, ":py:class:`~mordred.EState.AtomTypeEState` ('min', 'sssP')", 2D, "min of sssP" 1215, , MINdsssP, ":py:class:`~mordred.EState.AtomTypeEState` ('min', 'dsssP')", 2D, "min of dsssP" 1216, , MINsssssP, ":py:class:`~mordred.EState.AtomTypeEState` ('min', 'sssssP')", 2D, "min of sssssP" 1217, , MINsSH, ":py:class:`~mordred.EState.AtomTypeEState` ('min', 'sSH')", 2D, "min of sSH" 1218, , MINdS, ":py:class:`~mordred.EState.AtomTypeEState` ('min', 'dS')", 2D, "min of dS" 1219, , MINssS, ":py:class:`~mordred.EState.AtomTypeEState` ('min', 'ssS')", 2D, "min of ssS" 1220, , MINaaS, ":py:class:`~mordred.EState.AtomTypeEState` ('min', 'aaS')", 2D, "min of aaS" 1221, , MINdssS, ":py:class:`~mordred.EState.AtomTypeEState` ('min', 'dssS')", 2D, "min of dssS" 1222, , MINddssS, ":py:class:`~mordred.EState.AtomTypeEState` ('min', 'ddssS')", 2D, "min of ddssS" 1223, , MINsCl, ":py:class:`~mordred.EState.AtomTypeEState` ('min', 'sCl')", 2D, "min of sCl" 1224, , MINsGeH3, ":py:class:`~mordred.EState.AtomTypeEState` ('min', 'sGeH3')", 2D, "min of sGeH3" 1225, , MINssGeH2, ":py:class:`~mordred.EState.AtomTypeEState` ('min', 'ssGeH2')", 2D, "min of ssGeH2" 1226, , MINsssGeH, ":py:class:`~mordred.EState.AtomTypeEState` ('min', 'sssGeH')", 2D, "min of sssGeH" 1227, , MINssssGe, ":py:class:`~mordred.EState.AtomTypeEState` ('min', 'ssssGe')", 2D, "min of ssssGe" 1228, , MINsAsH2, ":py:class:`~mordred.EState.AtomTypeEState` ('min', 'sAsH2')", 2D, "min of sAsH2" 1229, , MINssAsH, ":py:class:`~mordred.EState.AtomTypeEState` ('min', 'ssAsH')", 2D, "min of ssAsH" 1230, , MINsssAs, ":py:class:`~mordred.EState.AtomTypeEState` ('min', 'sssAs')", 2D, "min of sssAs" 1231, , MINsssdAs, ":py:class:`~mordred.EState.AtomTypeEState` ('min', 'sssdAs')", 2D, "min of sssdAs" 1232, , MINsssssAs, ":py:class:`~mordred.EState.AtomTypeEState` ('min', 'sssssAs')", 2D, "min of sssssAs" 1233, , MINsSeH, ":py:class:`~mordred.EState.AtomTypeEState` ('min', 'sSeH')", 2D, "min of sSeH" 1234, , MINdSe, ":py:class:`~mordred.EState.AtomTypeEState` ('min', 'dSe')", 2D, "min of dSe" 1235, , MINssSe, ":py:class:`~mordred.EState.AtomTypeEState` ('min', 'ssSe')", 2D, "min of ssSe" 1236, , MINaaSe, ":py:class:`~mordred.EState.AtomTypeEState` ('min', 'aaSe')", 2D, "min of aaSe" 1237, , MINdssSe, ":py:class:`~mordred.EState.AtomTypeEState` ('min', 'dssSe')", 2D, "min of dssSe" 1238, , MINddssSe, ":py:class:`~mordred.EState.AtomTypeEState` ('min', 'ddssSe')", 2D, "min of ddssSe" 1239, , MINsBr, ":py:class:`~mordred.EState.AtomTypeEState` ('min', 'sBr')", 2D, "min of sBr" 1240, , MINsSnH3, ":py:class:`~mordred.EState.AtomTypeEState` ('min', 'sSnH3')", 2D, "min of sSnH3" 1241, , MINssSnH2, ":py:class:`~mordred.EState.AtomTypeEState` ('min', 'ssSnH2')", 2D, "min of ssSnH2" 1242, , MINsssSnH, ":py:class:`~mordred.EState.AtomTypeEState` ('min', 'sssSnH')", 2D, "min of sssSnH" 1243, , MINssssSn, ":py:class:`~mordred.EState.AtomTypeEState` ('min', 'ssssSn')", 2D, "min of ssssSn" 1244, , MINsI, ":py:class:`~mordred.EState.AtomTypeEState` ('min', 'sI')", 2D, "min of sI" 1245, , MINsPbH3, ":py:class:`~mordred.EState.AtomTypeEState` ('min', 'sPbH3')", 2D, "min of sPbH3" 1246, , MINssPbH2, ":py:class:`~mordred.EState.AtomTypeEState` ('min', 'ssPbH2')", 2D, "min of ssPbH2" 1247, , MINsssPbH, ":py:class:`~mordred.EState.AtomTypeEState` ('min', 'sssPbH')", 2D, "min of sssPbH" 1248, , MINssssPb, ":py:class:`~mordred.EState.AtomTypeEState` ('min', 'ssssPb')", 2D, "min of ssssPb" 1249, :py:mod:`~mordred.EccentricConnectivityIndex`, ECIndex, ":py:class:`~mordred.EccentricConnectivityIndex.EccentricConnectivityIndex` ()", 2D, "eccentric connectivity index" 1250, :py:mod:`~mordred.ExtendedTopochemicalAtom`, ETA_alpha, ":py:class:`~mordred.ExtendedTopochemicalAtom.EtaCoreCount` (False, False)", 2D, "ETA core count" 1251, , AETA_alpha, ":py:class:`~mordred.ExtendedTopochemicalAtom.EtaCoreCount` (True, False)", 2D, "averaged ETA core count" 1252, , ETA_shape_p, ":py:class:`~mordred.ExtendedTopochemicalAtom.EtaShapeIndex` ('p')", 2D, "ETA shape index (type: p)" 1253, , ETA_shape_y, ":py:class:`~mordred.ExtendedTopochemicalAtom.EtaShapeIndex` ('y')", 2D, "ETA shape index (type: y)" 1254, , ETA_shape_x, ":py:class:`~mordred.ExtendedTopochemicalAtom.EtaShapeIndex` ('x')", 2D, "ETA shape index (type: x)" 1255, , ETA_beta, ":py:class:`~mordred.ExtendedTopochemicalAtom.EtaVEMCount` ('', False)", 2D, "valence electron mobile count" 1256, , AETA_beta, ":py:class:`~mordred.ExtendedTopochemicalAtom.EtaVEMCount` ('', True)", 2D, "averaged valence electron mobile count" 1257, , ETA_beta_s, ":py:class:`~mordred.ExtendedTopochemicalAtom.EtaVEMCount` ('s', False)", 2D, "sigma contribution to valence electron mobile count" 1258, , AETA_beta_s, ":py:class:`~mordred.ExtendedTopochemicalAtom.EtaVEMCount` ('s', True)", 2D, "averaged sigma contribution to valence electron mobile count" 1259, , ETA_beta_ns, ":py:class:`~mordred.ExtendedTopochemicalAtom.EtaVEMCount` ('ns', False)", 2D, "nonsigma contribution to valence electron mobile count" 1260, , AETA_beta_ns, ":py:class:`~mordred.ExtendedTopochemicalAtom.EtaVEMCount` ('ns', True)", 2D, "averaged nonsigma contribution to valence electron mobile count" 1261, , ETA_beta_ns_d, ":py:class:`~mordred.ExtendedTopochemicalAtom.EtaVEMCount` ('ns_d', False)", 2D, "delta contribution to valence electron mobile count" 1262, , AETA_beta_ns_d, ":py:class:`~mordred.ExtendedTopochemicalAtom.EtaVEMCount` ('ns_d', True)", 2D, "averaged delta contribution to valence electron mobile count" 1263, , ETA_eta, ":py:class:`~mordred.ExtendedTopochemicalAtom.EtaCompositeIndex` (False, False, False)", 2D, "ETA composite index for reference graph" 1264, , AETA_eta, ":py:class:`~mordred.ExtendedTopochemicalAtom.EtaCompositeIndex` (False, False, True)", 2D, "averaged ETA composite index for reference graph" 1265, , ETA_eta_L, ":py:class:`~mordred.ExtendedTopochemicalAtom.EtaCompositeIndex` (False, True, False)", 2D, "local ETA composite index for reference graph" 1266, , AETA_eta_L, ":py:class:`~mordred.ExtendedTopochemicalAtom.EtaCompositeIndex` (False, True, True)", 2D, "averaged local ETA composite index for reference graph" 1267, , ETA_eta_R, ":py:class:`~mordred.ExtendedTopochemicalAtom.EtaCompositeIndex` (True, False, False)", 2D, "ETA composite index for reference graph" 1268, , AETA_eta_R, ":py:class:`~mordred.ExtendedTopochemicalAtom.EtaCompositeIndex` (True, False, True)", 2D, "averaged ETA composite index for reference graph" 1269, , ETA_eta_RL, ":py:class:`~mordred.ExtendedTopochemicalAtom.EtaCompositeIndex` (True, True, False)", 2D, "local ETA composite index for reference graph" 1270, , AETA_eta_RL, ":py:class:`~mordred.ExtendedTopochemicalAtom.EtaCompositeIndex` (True, True, True)", 2D, "averaged local ETA composite index for reference graph" 1271, , ETA_eta_F, ":py:class:`~mordred.ExtendedTopochemicalAtom.EtaFunctionalityIndex` (False, False)", 2D, "ETA functionality index" 1272, , AETA_eta_F, ":py:class:`~mordred.ExtendedTopochemicalAtom.EtaFunctionalityIndex` (False, True)", 2D, "averaged ETA functionality index" 1273, , ETA_eta_FL, ":py:class:`~mordred.ExtendedTopochemicalAtom.EtaFunctionalityIndex` (True, False)", 2D, "local ETA functionality index" 1274, , AETA_eta_FL, ":py:class:`~mordred.ExtendedTopochemicalAtom.EtaFunctionalityIndex` (True, True)", 2D, "averaged local ETA functionality index" 1275, , ETA_eta_B, ":py:class:`~mordred.ExtendedTopochemicalAtom.EtaBranchingIndex` (False, False)", 2D, "ETA branching index" 1276, , AETA_eta_B, ":py:class:`~mordred.ExtendedTopochemicalAtom.EtaBranchingIndex` (False, True)", 2D, "averaged ETA branching index" 1277, , ETA_eta_BR, ":py:class:`~mordred.ExtendedTopochemicalAtom.EtaBranchingIndex` (True, False)", 2D, "ETA branching index (use ring count)" 1278, , AETA_eta_BR, ":py:class:`~mordred.ExtendedTopochemicalAtom.EtaBranchingIndex` (True, True)", 2D, "averaged ETA branching index (use ring count)" 1279, , ETA_dAlpha_A, ":py:class:`~mordred.ExtendedTopochemicalAtom.EtaDeltaAlpha` ('A')", 2D, "ETA delta alpha (type: A)" 1280, , ETA_dAlpha_B, ":py:class:`~mordred.ExtendedTopochemicalAtom.EtaDeltaAlpha` ('B')", 2D, "ETA delta alpha (type: B)" 1281, , ETA_epsilon_1, ":py:class:`~mordred.ExtendedTopochemicalAtom.EtaEpsilon` (1)", 2D, "ETA epsilon (type: 1)" 1282, , ETA_epsilon_2, ":py:class:`~mordred.ExtendedTopochemicalAtom.EtaEpsilon` (2)", 2D, "ETA epsilon (type: 2)" 1283, , ETA_epsilon_3, ":py:class:`~mordred.ExtendedTopochemicalAtom.EtaEpsilon` (3)", 2D, "ETA epsilon (type: 3)" 1284, , ETA_epsilon_4, ":py:class:`~mordred.ExtendedTopochemicalAtom.EtaEpsilon` (4)", 2D, "ETA epsilon (type: 4)" 1285, , ETA_epsilon_5, ":py:class:`~mordred.ExtendedTopochemicalAtom.EtaEpsilon` (5)", 2D, "ETA epsilon (type: 5)" 1286, , ETA_dEpsilon_A, ":py:class:`~mordred.ExtendedTopochemicalAtom.EtaDeltaEpsilon` ('A')", 2D, "ETA delta epsilon (type: A)" 1287, , ETA_dEpsilon_B, ":py:class:`~mordred.ExtendedTopochemicalAtom.EtaDeltaEpsilon` ('B')", 2D, "ETA delta epsilon (type: B)" 1288, , ETA_dEpsilon_C, ":py:class:`~mordred.ExtendedTopochemicalAtom.EtaDeltaEpsilon` ('C')", 2D, "ETA delta epsilon (type: C)" 1289, , ETA_dEpsilon_D, ":py:class:`~mordred.ExtendedTopochemicalAtom.EtaDeltaEpsilon` ('D')", 2D, "ETA delta epsilon (type: D)" 1290, , ETA_dBeta, ":py:class:`~mordred.ExtendedTopochemicalAtom.EtaDeltaBeta` (False)", 2D, "ETA delta beta" 1291, , AETA_dBeta, ":py:class:`~mordred.ExtendedTopochemicalAtom.EtaDeltaBeta` (True)", 2D, "averaged ETA delta beta" 1292, , ETA_psi_1, ":py:class:`~mordred.ExtendedTopochemicalAtom.EtaPsi` ()", 2D, "ETA psi" 1293, , ETA_dPsi_A, ":py:class:`~mordred.ExtendedTopochemicalAtom.EtaDeltaPsi` ('A')", 2D, "ETA delta psi (type: A)" 1294, , ETA_dPsi_B, ":py:class:`~mordred.ExtendedTopochemicalAtom.EtaDeltaPsi` ('B')", 2D, "ETA delta psi (type: B)" 1295, :py:mod:`~mordred.FragmentComplexity`, fragCpx, ":py:class:`~mordred.FragmentComplexity.FragmentComplexity` ()", 2D, "fragment complexity" 1296, :py:mod:`~mordred.Framework`, fMF, ":py:class:`~mordred.Framework.Framework` ()", 2D, "molecular framework ratio" 1297, :py:mod:`~mordred.GeometricalIndex`, GeomDiameter, ":py:class:`~mordred.GeometricalIndex.Diameter3D` ()", 3D, "geometric diameter" 1298, , GeomRadius, ":py:class:`~mordred.GeometricalIndex.Radius3D` ()", 3D, "geometric radius" 1299, , GeomShapeIndex, ":py:class:`~mordred.GeometricalIndex.GeometricalShapeIndex` ()", 3D, "geometrical shape index" 1300, , GeomPetitjeanIndex, ":py:class:`~mordred.GeometricalIndex.PetitjeanIndex3D` ()", 3D, "geometric Petitjean index" 1301, :py:mod:`~mordred.GravitationalIndex`, GRAV, ":py:class:`~mordred.GravitationalIndex.GravitationalIndex` (True, False)", 3D, "heavy atom gravitational index" 1302, , GRAVH, ":py:class:`~mordred.GravitationalIndex.GravitationalIndex` (False, False)", 3D, "gravitational index" 1303, , GRAVp, ":py:class:`~mordred.GravitationalIndex.GravitationalIndex` (True, True)", 3D, "heavy atom pair gravitational index" 1304, , GRAVHp, ":py:class:`~mordred.GravitationalIndex.GravitationalIndex` (False, True)", 3D, "pair gravitational index" 1305, :py:mod:`~mordred.HydrogenBond`, nHBAcc, ":py:class:`~mordred.HydrogenBond.HBondAcceptor` ()", 2D, "number of hydrogen bond acceptor" 1306, , nHBDon, ":py:class:`~mordred.HydrogenBond.HBondDonor` ()", 2D, "number of hydrogen bond donor" 1307, :py:mod:`~mordred.InformationContent`, IC0, ":py:class:`~mordred.InformationContent.InformationContent` (0)", 2D, "0-ordered neighborhood information content" 1308, , IC1, ":py:class:`~mordred.InformationContent.InformationContent` (1)", 2D, "1-ordered neighborhood information content" 1309, , IC2, ":py:class:`~mordred.InformationContent.InformationContent` (2)", 2D, "2-ordered neighborhood information content" 1310, , IC3, ":py:class:`~mordred.InformationContent.InformationContent` (3)", 2D, "3-ordered neighborhood information content" 1311, , IC4, ":py:class:`~mordred.InformationContent.InformationContent` (4)", 2D, "4-ordered neighborhood information content" 1312, , IC5, ":py:class:`~mordred.InformationContent.InformationContent` (5)", 2D, "5-ordered neighborhood information content" 1313, , TIC0, ":py:class:`~mordred.InformationContent.TotalIC` (0)", 2D, "0-ordered neighborhood total information content" 1314, , TIC1, ":py:class:`~mordred.InformationContent.TotalIC` (1)", 2D, "1-ordered neighborhood total information content" 1315, , TIC2, ":py:class:`~mordred.InformationContent.TotalIC` (2)", 2D, "2-ordered neighborhood total information content" 1316, , TIC3, ":py:class:`~mordred.InformationContent.TotalIC` (3)", 2D, "3-ordered neighborhood total information content" 1317, , TIC4, ":py:class:`~mordred.InformationContent.TotalIC` (4)", 2D, "4-ordered neighborhood total information content" 1318, , TIC5, ":py:class:`~mordred.InformationContent.TotalIC` (5)", 2D, "5-ordered neighborhood total information content" 1319, , SIC0, ":py:class:`~mordred.InformationContent.StructuralIC` (0)", 2D, "0-ordered structural information content" 1320, , SIC1, ":py:class:`~mordred.InformationContent.StructuralIC` (1)", 2D, "1-ordered structural information content" 1321, , SIC2, ":py:class:`~mordred.InformationContent.StructuralIC` (2)", 2D, "2-ordered structural information content" 1322, , SIC3, ":py:class:`~mordred.InformationContent.StructuralIC` (3)", 2D, "3-ordered structural information content" 1323, , SIC4, ":py:class:`~mordred.InformationContent.StructuralIC` (4)", 2D, "4-ordered structural information content" 1324, , SIC5, ":py:class:`~mordred.InformationContent.StructuralIC` (5)", 2D, "5-ordered structural information content" 1325, , BIC0, ":py:class:`~mordred.InformationContent.BondingIC` (0)", 2D, "0-ordered bonding information content" 1326, , BIC1, ":py:class:`~mordred.InformationContent.BondingIC` (1)", 2D, "1-ordered bonding information content" 1327, , BIC2, ":py:class:`~mordred.InformationContent.BondingIC` (2)", 2D, "2-ordered bonding information content" 1328, , BIC3, ":py:class:`~mordred.InformationContent.BondingIC` (3)", 2D, "3-ordered bonding information content" 1329, , BIC4, ":py:class:`~mordred.InformationContent.BondingIC` (4)", 2D, "4-ordered bonding information content" 1330, , BIC5, ":py:class:`~mordred.InformationContent.BondingIC` (5)", 2D, "5-ordered bonding information content" 1331, , CIC0, ":py:class:`~mordred.InformationContent.ComplementaryIC` (0)", 2D, "0-ordered complementary information content" 1332, , CIC1, ":py:class:`~mordred.InformationContent.ComplementaryIC` (1)", 2D, "1-ordered complementary information content" 1333, , CIC2, ":py:class:`~mordred.InformationContent.ComplementaryIC` (2)", 2D, "2-ordered complementary information content" 1334, , CIC3, ":py:class:`~mordred.InformationContent.ComplementaryIC` (3)", 2D, "3-ordered complementary information content" 1335, , CIC4, ":py:class:`~mordred.InformationContent.ComplementaryIC` (4)", 2D, "4-ordered complementary information content" 1336, , CIC5, ":py:class:`~mordred.InformationContent.ComplementaryIC` (5)", 2D, "5-ordered complementary information content" 1337, , MIC0, ":py:class:`~mordred.InformationContent.ModifiedIC` (0)", 2D, "0-ordered modified information content" 1338, , MIC1, ":py:class:`~mordred.InformationContent.ModifiedIC` (1)", 2D, "1-ordered modified information content" 1339, , MIC2, ":py:class:`~mordred.InformationContent.ModifiedIC` (2)", 2D, "2-ordered modified information content" 1340, , MIC3, ":py:class:`~mordred.InformationContent.ModifiedIC` (3)", 2D, "3-ordered modified information content" 1341, , MIC4, ":py:class:`~mordred.InformationContent.ModifiedIC` (4)", 2D, "4-ordered modified information content" 1342, , MIC5, ":py:class:`~mordred.InformationContent.ModifiedIC` (5)", 2D, "5-ordered modified information content" 1343, , ZMIC0, ":py:class:`~mordred.InformationContent.ZModifiedIC` (0)", 2D, "0-ordered Z-modified information content" 1344, , ZMIC1, ":py:class:`~mordred.InformationContent.ZModifiedIC` (1)", 2D, "1-ordered Z-modified information content" 1345, , ZMIC2, ":py:class:`~mordred.InformationContent.ZModifiedIC` (2)", 2D, "2-ordered Z-modified information content" 1346, , ZMIC3, ":py:class:`~mordred.InformationContent.ZModifiedIC` (3)", 2D, "3-ordered Z-modified information content" 1347, , ZMIC4, ":py:class:`~mordred.InformationContent.ZModifiedIC` (4)", 2D, "4-ordered Z-modified information content" 1348, , ZMIC5, ":py:class:`~mordred.InformationContent.ZModifiedIC` (5)", 2D, "5-ordered Z-modified information content" 1349, :py:mod:`~mordred.KappaShapeIndex`, Kier1, ":py:class:`~mordred.KappaShapeIndex.KappaShapeIndex1` ()", 2D, "kappa shape index 1" 1350, , Kier2, ":py:class:`~mordred.KappaShapeIndex.KappaShapeIndex2` ()", 2D, "kappa shape index 2" 1351, , Kier3, ":py:class:`~mordred.KappaShapeIndex.KappaShapeIndex3` ()", 2D, "kappa shape index 3" 1352, :py:mod:`~mordred.Lipinski`, Lipinski, ":py:class:`~mordred.Lipinski.Lipinski` ()", 2D, "Lipinski rule of five" 1353, , GhoseFilter, ":py:class:`~mordred.Lipinski.GhoseFilter` ()", 2D, "Ghose filter" 1354, :py:mod:`~mordred.LogS`, FilterItLogS, ":py:class:`~mordred.LogS.LogS` ()", 2D, "Filter-it™ LogS" 1355, :py:mod:`~mordred.McGowanVolume`, VMcGowan, ":py:class:`~mordred.McGowanVolume.McGowanVolume` ()", 2D, "McGowan volume" 1356, :py:mod:`~mordred.MoRSE`, Mor01, ":py:class:`~mordred.MoRSE.MoRSE` (None, 1)", 3D, "3D-MoRSE (distance = 1)" 1357, , Mor02, ":py:class:`~mordred.MoRSE.MoRSE` (None, 2)", 3D, "3D-MoRSE (distance = 2)" 1358, , Mor03, ":py:class:`~mordred.MoRSE.MoRSE` (None, 3)", 3D, "3D-MoRSE (distance = 3)" 1359, , Mor04, ":py:class:`~mordred.MoRSE.MoRSE` (None, 4)", 3D, "3D-MoRSE (distance = 4)" 1360, , Mor05, ":py:class:`~mordred.MoRSE.MoRSE` (None, 5)", 3D, "3D-MoRSE (distance = 5)" 1361, , Mor06, ":py:class:`~mordred.MoRSE.MoRSE` (None, 6)", 3D, "3D-MoRSE (distance = 6)" 1362, , Mor07, ":py:class:`~mordred.MoRSE.MoRSE` (None, 7)", 3D, "3D-MoRSE (distance = 7)" 1363, , Mor08, ":py:class:`~mordred.MoRSE.MoRSE` (None, 8)", 3D, "3D-MoRSE (distance = 8)" 1364, , Mor09, ":py:class:`~mordred.MoRSE.MoRSE` (None, 9)", 3D, "3D-MoRSE (distance = 9)" 1365, , Mor10, ":py:class:`~mordred.MoRSE.MoRSE` (None, 10)", 3D, "3D-MoRSE (distance = 10)" 1366, , Mor11, ":py:class:`~mordred.MoRSE.MoRSE` (None, 11)", 3D, "3D-MoRSE (distance = 11)" 1367, , Mor12, ":py:class:`~mordred.MoRSE.MoRSE` (None, 12)", 3D, "3D-MoRSE (distance = 12)" 1368, , Mor13, ":py:class:`~mordred.MoRSE.MoRSE` (None, 13)", 3D, "3D-MoRSE (distance = 13)" 1369, , Mor14, ":py:class:`~mordred.MoRSE.MoRSE` (None, 14)", 3D, "3D-MoRSE (distance = 14)" 1370, , Mor15, ":py:class:`~mordred.MoRSE.MoRSE` (None, 15)", 3D, "3D-MoRSE (distance = 15)" 1371, , Mor16, ":py:class:`~mordred.MoRSE.MoRSE` (None, 16)", 3D, "3D-MoRSE (distance = 16)" 1372, , Mor17, ":py:class:`~mordred.MoRSE.MoRSE` (None, 17)", 3D, "3D-MoRSE (distance = 17)" 1373, , Mor18, ":py:class:`~mordred.MoRSE.MoRSE` (None, 18)", 3D, "3D-MoRSE (distance = 18)" 1374, , Mor19, ":py:class:`~mordred.MoRSE.MoRSE` (None, 19)", 3D, "3D-MoRSE (distance = 19)" 1375, , Mor20, ":py:class:`~mordred.MoRSE.MoRSE` (None, 20)", 3D, "3D-MoRSE (distance = 20)" 1376, , Mor21, ":py:class:`~mordred.MoRSE.MoRSE` (None, 21)", 3D, "3D-MoRSE (distance = 21)" 1377, , Mor22, ":py:class:`~mordred.MoRSE.MoRSE` (None, 22)", 3D, "3D-MoRSE (distance = 22)" 1378, , Mor23, ":py:class:`~mordred.MoRSE.MoRSE` (None, 23)", 3D, "3D-MoRSE (distance = 23)" 1379, , Mor24, ":py:class:`~mordred.MoRSE.MoRSE` (None, 24)", 3D, "3D-MoRSE (distance = 24)" 1380, , Mor25, ":py:class:`~mordred.MoRSE.MoRSE` (None, 25)", 3D, "3D-MoRSE (distance = 25)" 1381, , Mor26, ":py:class:`~mordred.MoRSE.MoRSE` (None, 26)", 3D, "3D-MoRSE (distance = 26)" 1382, , Mor27, ":py:class:`~mordred.MoRSE.MoRSE` (None, 27)", 3D, "3D-MoRSE (distance = 27)" 1383, , Mor28, ":py:class:`~mordred.MoRSE.MoRSE` (None, 28)", 3D, "3D-MoRSE (distance = 28)" 1384, , Mor29, ":py:class:`~mordred.MoRSE.MoRSE` (None, 29)", 3D, "3D-MoRSE (distance = 29)" 1385, , Mor30, ":py:class:`~mordred.MoRSE.MoRSE` (None, 30)", 3D, "3D-MoRSE (distance = 30)" 1386, , Mor31, ":py:class:`~mordred.MoRSE.MoRSE` (None, 31)", 3D, "3D-MoRSE (distance = 31)" 1387, , Mor32, ":py:class:`~mordred.MoRSE.MoRSE` (None, 32)", 3D, "3D-MoRSE (distance = 32)" 1388, , Mor01m, ":py:class:`~mordred.MoRSE.MoRSE` ('m', 1)", 3D, "3D-MoRSE weighted by mass (distance = 1)" 1389, , Mor02m, ":py:class:`~mordred.MoRSE.MoRSE` ('m', 2)", 3D, "3D-MoRSE weighted by mass (distance = 2)" 1390, , Mor03m, ":py:class:`~mordred.MoRSE.MoRSE` ('m', 3)", 3D, "3D-MoRSE weighted by mass (distance = 3)" 1391, , Mor04m, ":py:class:`~mordred.MoRSE.MoRSE` ('m', 4)", 3D, "3D-MoRSE weighted by mass (distance = 4)" 1392, , Mor05m, ":py:class:`~mordred.MoRSE.MoRSE` ('m', 5)", 3D, "3D-MoRSE weighted by mass (distance = 5)" 1393, , Mor06m, ":py:class:`~mordred.MoRSE.MoRSE` ('m', 6)", 3D, "3D-MoRSE weighted by mass (distance = 6)" 1394, , Mor07m, ":py:class:`~mordred.MoRSE.MoRSE` ('m', 7)", 3D, "3D-MoRSE weighted by mass (distance = 7)" 1395, , Mor08m, ":py:class:`~mordred.MoRSE.MoRSE` ('m', 8)", 3D, "3D-MoRSE weighted by mass (distance = 8)" 1396, , Mor09m, ":py:class:`~mordred.MoRSE.MoRSE` ('m', 9)", 3D, "3D-MoRSE weighted by mass (distance = 9)" 1397, , Mor10m, ":py:class:`~mordred.MoRSE.MoRSE` ('m', 10)", 3D, "3D-MoRSE weighted by mass (distance = 10)" 1398, , Mor11m, ":py:class:`~mordred.MoRSE.MoRSE` ('m', 11)", 3D, "3D-MoRSE weighted by mass (distance = 11)" 1399, , Mor12m, ":py:class:`~mordred.MoRSE.MoRSE` ('m', 12)", 3D, "3D-MoRSE weighted by mass (distance = 12)" 1400, , Mor13m, ":py:class:`~mordred.MoRSE.MoRSE` ('m', 13)", 3D, "3D-MoRSE weighted by mass (distance = 13)" 1401, , Mor14m, ":py:class:`~mordred.MoRSE.MoRSE` ('m', 14)", 3D, "3D-MoRSE weighted by mass (distance = 14)" 1402, , Mor15m, ":py:class:`~mordred.MoRSE.MoRSE` ('m', 15)", 3D, "3D-MoRSE weighted by mass (distance = 15)" 1403, , Mor16m, ":py:class:`~mordred.MoRSE.MoRSE` ('m', 16)", 3D, "3D-MoRSE weighted by mass (distance = 16)" 1404, , Mor17m, ":py:class:`~mordred.MoRSE.MoRSE` ('m', 17)", 3D, "3D-MoRSE weighted by mass (distance = 17)" 1405, , Mor18m, ":py:class:`~mordred.MoRSE.MoRSE` ('m', 18)", 3D, "3D-MoRSE weighted by mass (distance = 18)" 1406, , Mor19m, ":py:class:`~mordred.MoRSE.MoRSE` ('m', 19)", 3D, "3D-MoRSE weighted by mass (distance = 19)" 1407, , Mor20m, ":py:class:`~mordred.MoRSE.MoRSE` ('m', 20)", 3D, "3D-MoRSE weighted by mass (distance = 20)" 1408, , Mor21m, ":py:class:`~mordred.MoRSE.MoRSE` ('m', 21)", 3D, "3D-MoRSE weighted by mass (distance = 21)" 1409, , Mor22m, ":py:class:`~mordred.MoRSE.MoRSE` ('m', 22)", 3D, "3D-MoRSE weighted by mass (distance = 22)" 1410, , Mor23m, ":py:class:`~mordred.MoRSE.MoRSE` ('m', 23)", 3D, "3D-MoRSE weighted by mass (distance = 23)" 1411, , Mor24m, ":py:class:`~mordred.MoRSE.MoRSE` ('m', 24)", 3D, "3D-MoRSE weighted by mass (distance = 24)" 1412, , Mor25m, ":py:class:`~mordred.MoRSE.MoRSE` ('m', 25)", 3D, "3D-MoRSE weighted by mass (distance = 25)" 1413, , Mor26m, ":py:class:`~mordred.MoRSE.MoRSE` ('m', 26)", 3D, "3D-MoRSE weighted by mass (distance = 26)" 1414, , Mor27m, ":py:class:`~mordred.MoRSE.MoRSE` ('m', 27)", 3D, "3D-MoRSE weighted by mass (distance = 27)" 1415, , Mor28m, ":py:class:`~mordred.MoRSE.MoRSE` ('m', 28)", 3D, "3D-MoRSE weighted by mass (distance = 28)" 1416, , Mor29m, ":py:class:`~mordred.MoRSE.MoRSE` ('m', 29)", 3D, "3D-MoRSE weighted by mass (distance = 29)" 1417, , Mor30m, ":py:class:`~mordred.MoRSE.MoRSE` ('m', 30)", 3D, "3D-MoRSE weighted by mass (distance = 30)" 1418, , Mor31m, ":py:class:`~mordred.MoRSE.MoRSE` ('m', 31)", 3D, "3D-MoRSE weighted by mass (distance = 31)" 1419, , Mor32m, ":py:class:`~mordred.MoRSE.MoRSE` ('m', 32)", 3D, "3D-MoRSE weighted by mass (distance = 32)" 1420, , Mor01v, ":py:class:`~mordred.MoRSE.MoRSE` ('v', 1)", 3D, "3D-MoRSE weighted by vdw volume (distance = 1)" 1421, , Mor02v, ":py:class:`~mordred.MoRSE.MoRSE` ('v', 2)", 3D, "3D-MoRSE weighted by vdw volume (distance = 2)" 1422, , Mor03v, ":py:class:`~mordred.MoRSE.MoRSE` ('v', 3)", 3D, "3D-MoRSE weighted by vdw volume (distance = 3)" 1423, , Mor04v, ":py:class:`~mordred.MoRSE.MoRSE` ('v', 4)", 3D, "3D-MoRSE weighted by vdw volume (distance = 4)" 1424, , Mor05v, ":py:class:`~mordred.MoRSE.MoRSE` ('v', 5)", 3D, "3D-MoRSE weighted by vdw volume (distance = 5)" 1425, , Mor06v, ":py:class:`~mordred.MoRSE.MoRSE` ('v', 6)", 3D, "3D-MoRSE weighted by vdw volume (distance = 6)" 1426, , Mor07v, ":py:class:`~mordred.MoRSE.MoRSE` ('v', 7)", 3D, "3D-MoRSE weighted by vdw volume (distance = 7)" 1427, , Mor08v, ":py:class:`~mordred.MoRSE.MoRSE` ('v', 8)", 3D, "3D-MoRSE weighted by vdw volume (distance = 8)" 1428, , Mor09v, ":py:class:`~mordred.MoRSE.MoRSE` ('v', 9)", 3D, "3D-MoRSE weighted by vdw volume (distance = 9)" 1429, , Mor10v, ":py:class:`~mordred.MoRSE.MoRSE` ('v', 10)", 3D, "3D-MoRSE weighted by vdw volume (distance = 10)" 1430, , Mor11v, ":py:class:`~mordred.MoRSE.MoRSE` ('v', 11)", 3D, "3D-MoRSE weighted by vdw volume (distance = 11)" 1431, , Mor12v, ":py:class:`~mordred.MoRSE.MoRSE` ('v', 12)", 3D, "3D-MoRSE weighted by vdw volume (distance = 12)" 1432, , Mor13v, ":py:class:`~mordred.MoRSE.MoRSE` ('v', 13)", 3D, "3D-MoRSE weighted by vdw volume (distance = 13)" 1433, , Mor14v, ":py:class:`~mordred.MoRSE.MoRSE` ('v', 14)", 3D, "3D-MoRSE weighted by vdw volume (distance = 14)" 1434, , Mor15v, ":py:class:`~mordred.MoRSE.MoRSE` ('v', 15)", 3D, "3D-MoRSE weighted by vdw volume (distance = 15)" 1435, , Mor16v, ":py:class:`~mordred.MoRSE.MoRSE` ('v', 16)", 3D, "3D-MoRSE weighted by vdw volume (distance = 16)" 1436, , Mor17v, ":py:class:`~mordred.MoRSE.MoRSE` ('v', 17)", 3D, "3D-MoRSE weighted by vdw volume (distance = 17)" 1437, , Mor18v, ":py:class:`~mordred.MoRSE.MoRSE` ('v', 18)", 3D, "3D-MoRSE weighted by vdw volume (distance = 18)" 1438, , Mor19v, ":py:class:`~mordred.MoRSE.MoRSE` ('v', 19)", 3D, "3D-MoRSE weighted by vdw volume (distance = 19)" 1439, , Mor20v, ":py:class:`~mordred.MoRSE.MoRSE` ('v', 20)", 3D, "3D-MoRSE weighted by vdw volume (distance = 20)" 1440, , Mor21v, ":py:class:`~mordred.MoRSE.MoRSE` ('v', 21)", 3D, "3D-MoRSE weighted by vdw volume (distance = 21)" 1441, , Mor22v, ":py:class:`~mordred.MoRSE.MoRSE` ('v', 22)", 3D, "3D-MoRSE weighted by vdw volume (distance = 22)" 1442, , Mor23v, ":py:class:`~mordred.MoRSE.MoRSE` ('v', 23)", 3D, "3D-MoRSE weighted by vdw volume (distance = 23)" 1443, , Mor24v, ":py:class:`~mordred.MoRSE.MoRSE` ('v', 24)", 3D, "3D-MoRSE weighted by vdw volume (distance = 24)" 1444, , Mor25v, ":py:class:`~mordred.MoRSE.MoRSE` ('v', 25)", 3D, "3D-MoRSE weighted by vdw volume (distance = 25)" 1445, , Mor26v, ":py:class:`~mordred.MoRSE.MoRSE` ('v', 26)", 3D, "3D-MoRSE weighted by vdw volume (distance = 26)" 1446, , Mor27v, ":py:class:`~mordred.MoRSE.MoRSE` ('v', 27)", 3D, "3D-MoRSE weighted by vdw volume (distance = 27)" 1447, , Mor28v, ":py:class:`~mordred.MoRSE.MoRSE` ('v', 28)", 3D, "3D-MoRSE weighted by vdw volume (distance = 28)" 1448, , Mor29v, ":py:class:`~mordred.MoRSE.MoRSE` ('v', 29)", 3D, "3D-MoRSE weighted by vdw volume (distance = 29)" 1449, , Mor30v, ":py:class:`~mordred.MoRSE.MoRSE` ('v', 30)", 3D, "3D-MoRSE weighted by vdw volume (distance = 30)" 1450, , Mor31v, ":py:class:`~mordred.MoRSE.MoRSE` ('v', 31)", 3D, "3D-MoRSE weighted by vdw volume (distance = 31)" 1451, , Mor32v, ":py:class:`~mordred.MoRSE.MoRSE` ('v', 32)", 3D, "3D-MoRSE weighted by vdw volume (distance = 32)" 1452, , Mor01se, ":py:class:`~mordred.MoRSE.MoRSE` ('se', 1)", 3D, "3D-MoRSE weighted by sanderson EN (distance = 1)" 1453, , Mor02se, ":py:class:`~mordred.MoRSE.MoRSE` ('se', 2)", 3D, "3D-MoRSE weighted by sanderson EN (distance = 2)" 1454, , Mor03se, ":py:class:`~mordred.MoRSE.MoRSE` ('se', 3)", 3D, "3D-MoRSE weighted by sanderson EN (distance = 3)" 1455, , Mor04se, ":py:class:`~mordred.MoRSE.MoRSE` ('se', 4)", 3D, "3D-MoRSE weighted by sanderson EN (distance = 4)" 1456, , Mor05se, ":py:class:`~mordred.MoRSE.MoRSE` ('se', 5)", 3D, "3D-MoRSE weighted by sanderson EN (distance = 5)" 1457, , Mor06se, ":py:class:`~mordred.MoRSE.MoRSE` ('se', 6)", 3D, "3D-MoRSE weighted by sanderson EN (distance = 6)" 1458, , Mor07se, ":py:class:`~mordred.MoRSE.MoRSE` ('se', 7)", 3D, "3D-MoRSE weighted by sanderson EN (distance = 7)" 1459, , Mor08se, ":py:class:`~mordred.MoRSE.MoRSE` ('se', 8)", 3D, "3D-MoRSE weighted by sanderson EN (distance = 8)" 1460, , Mor09se, ":py:class:`~mordred.MoRSE.MoRSE` ('se', 9)", 3D, "3D-MoRSE weighted by sanderson EN (distance = 9)" 1461, , Mor10se, ":py:class:`~mordred.MoRSE.MoRSE` ('se', 10)", 3D, "3D-MoRSE weighted by sanderson EN (distance = 10)" 1462, , Mor11se, ":py:class:`~mordred.MoRSE.MoRSE` ('se', 11)", 3D, "3D-MoRSE weighted by sanderson EN (distance = 11)" 1463, , Mor12se, ":py:class:`~mordred.MoRSE.MoRSE` ('se', 12)", 3D, "3D-MoRSE weighted by sanderson EN (distance = 12)" 1464, , Mor13se, ":py:class:`~mordred.MoRSE.MoRSE` ('se', 13)", 3D, "3D-MoRSE weighted by sanderson EN (distance = 13)" 1465, , Mor14se, ":py:class:`~mordred.MoRSE.MoRSE` ('se', 14)", 3D, "3D-MoRSE weighted by sanderson EN (distance = 14)" 1466, , Mor15se, ":py:class:`~mordred.MoRSE.MoRSE` ('se', 15)", 3D, "3D-MoRSE weighted by sanderson EN (distance = 15)" 1467, , Mor16se, ":py:class:`~mordred.MoRSE.MoRSE` ('se', 16)", 3D, "3D-MoRSE weighted by sanderson EN (distance = 16)" 1468, , Mor17se, ":py:class:`~mordred.MoRSE.MoRSE` ('se', 17)", 3D, "3D-MoRSE weighted by sanderson EN (distance = 17)" 1469, , Mor18se, ":py:class:`~mordred.MoRSE.MoRSE` ('se', 18)", 3D, "3D-MoRSE weighted by sanderson EN (distance = 18)" 1470, , Mor19se, ":py:class:`~mordred.MoRSE.MoRSE` ('se', 19)", 3D, "3D-MoRSE weighted by sanderson EN (distance = 19)" 1471, , Mor20se, ":py:class:`~mordred.MoRSE.MoRSE` ('se', 20)", 3D, "3D-MoRSE weighted by sanderson EN (distance = 20)" 1472, , Mor21se, ":py:class:`~mordred.MoRSE.MoRSE` ('se', 21)", 3D, "3D-MoRSE weighted by sanderson EN (distance = 21)" 1473, , Mor22se, ":py:class:`~mordred.MoRSE.MoRSE` ('se', 22)", 3D, "3D-MoRSE weighted by sanderson EN (distance = 22)" 1474, , Mor23se, ":py:class:`~mordred.MoRSE.MoRSE` ('se', 23)", 3D, "3D-MoRSE weighted by sanderson EN (distance = 23)" 1475, , Mor24se, ":py:class:`~mordred.MoRSE.MoRSE` ('se', 24)", 3D, "3D-MoRSE weighted by sanderson EN (distance = 24)" 1476, , Mor25se, ":py:class:`~mordred.MoRSE.MoRSE` ('se', 25)", 3D, "3D-MoRSE weighted by sanderson EN (distance = 25)" 1477, , Mor26se, ":py:class:`~mordred.MoRSE.MoRSE` ('se', 26)", 3D, "3D-MoRSE weighted by sanderson EN (distance = 26)" 1478, , Mor27se, ":py:class:`~mordred.MoRSE.MoRSE` ('se', 27)", 3D, "3D-MoRSE weighted by sanderson EN (distance = 27)" 1479, , Mor28se, ":py:class:`~mordred.MoRSE.MoRSE` ('se', 28)", 3D, "3D-MoRSE weighted by sanderson EN (distance = 28)" 1480, , Mor29se, ":py:class:`~mordred.MoRSE.MoRSE` ('se', 29)", 3D, "3D-MoRSE weighted by sanderson EN (distance = 29)" 1481, , Mor30se, ":py:class:`~mordred.MoRSE.MoRSE` ('se', 30)", 3D, "3D-MoRSE weighted by sanderson EN (distance = 30)" 1482, , Mor31se, ":py:class:`~mordred.MoRSE.MoRSE` ('se', 31)", 3D, "3D-MoRSE weighted by sanderson EN (distance = 31)" 1483, , Mor32se, ":py:class:`~mordred.MoRSE.MoRSE` ('se', 32)", 3D, "3D-MoRSE weighted by sanderson EN (distance = 32)" 1484, , Mor01p, ":py:class:`~mordred.MoRSE.MoRSE` ('p', 1)", 3D, "3D-MoRSE weighted by polarizability (distance = 1)" 1485, , Mor02p, ":py:class:`~mordred.MoRSE.MoRSE` ('p', 2)", 3D, "3D-MoRSE weighted by polarizability (distance = 2)" 1486, , Mor03p, ":py:class:`~mordred.MoRSE.MoRSE` ('p', 3)", 3D, "3D-MoRSE weighted by polarizability (distance = 3)" 1487, , Mor04p, ":py:class:`~mordred.MoRSE.MoRSE` ('p', 4)", 3D, "3D-MoRSE weighted by polarizability (distance = 4)" 1488, , Mor05p, ":py:class:`~mordred.MoRSE.MoRSE` ('p', 5)", 3D, "3D-MoRSE weighted by polarizability (distance = 5)" 1489, , Mor06p, ":py:class:`~mordred.MoRSE.MoRSE` ('p', 6)", 3D, "3D-MoRSE weighted by polarizability (distance = 6)" 1490, , Mor07p, ":py:class:`~mordred.MoRSE.MoRSE` ('p', 7)", 3D, "3D-MoRSE weighted by polarizability (distance = 7)" 1491, , Mor08p, ":py:class:`~mordred.MoRSE.MoRSE` ('p', 8)", 3D, "3D-MoRSE weighted by polarizability (distance = 8)" 1492, , Mor09p, ":py:class:`~mordred.MoRSE.MoRSE` ('p', 9)", 3D, "3D-MoRSE weighted by polarizability (distance = 9)" 1493, , Mor10p, ":py:class:`~mordred.MoRSE.MoRSE` ('p', 10)", 3D, "3D-MoRSE weighted by polarizability (distance = 10)" 1494, , Mor11p, ":py:class:`~mordred.MoRSE.MoRSE` ('p', 11)", 3D, "3D-MoRSE weighted by polarizability (distance = 11)" 1495, , Mor12p, ":py:class:`~mordred.MoRSE.MoRSE` ('p', 12)", 3D, "3D-MoRSE weighted by polarizability (distance = 12)" 1496, , Mor13p, ":py:class:`~mordred.MoRSE.MoRSE` ('p', 13)", 3D, "3D-MoRSE weighted by polarizability (distance = 13)" 1497, , Mor14p, ":py:class:`~mordred.MoRSE.MoRSE` ('p', 14)", 3D, "3D-MoRSE weighted by polarizability (distance = 14)" 1498, , Mor15p, ":py:class:`~mordred.MoRSE.MoRSE` ('p', 15)", 3D, "3D-MoRSE weighted by polarizability (distance = 15)" 1499, , Mor16p, ":py:class:`~mordred.MoRSE.MoRSE` ('p', 16)", 3D, "3D-MoRSE weighted by polarizability (distance = 16)" 1500, , Mor17p, ":py:class:`~mordred.MoRSE.MoRSE` ('p', 17)", 3D, "3D-MoRSE weighted by polarizability (distance = 17)" 1501, , Mor18p, ":py:class:`~mordred.MoRSE.MoRSE` ('p', 18)", 3D, "3D-MoRSE weighted by polarizability (distance = 18)" 1502, , Mor19p, ":py:class:`~mordred.MoRSE.MoRSE` ('p', 19)", 3D, "3D-MoRSE weighted by polarizability (distance = 19)" 1503, , Mor20p, ":py:class:`~mordred.MoRSE.MoRSE` ('p', 20)", 3D, "3D-MoRSE weighted by polarizability (distance = 20)" 1504, , Mor21p, ":py:class:`~mordred.MoRSE.MoRSE` ('p', 21)", 3D, "3D-MoRSE weighted by polarizability (distance = 21)" 1505, , Mor22p, ":py:class:`~mordred.MoRSE.MoRSE` ('p', 22)", 3D, "3D-MoRSE weighted by polarizability (distance = 22)" 1506, , Mor23p, ":py:class:`~mordred.MoRSE.MoRSE` ('p', 23)", 3D, "3D-MoRSE weighted by polarizability (distance = 23)" 1507, , Mor24p, ":py:class:`~mordred.MoRSE.MoRSE` ('p', 24)", 3D, "3D-MoRSE weighted by polarizability (distance = 24)" 1508, , Mor25p, ":py:class:`~mordred.MoRSE.MoRSE` ('p', 25)", 3D, "3D-MoRSE weighted by polarizability (distance = 25)" 1509, , Mor26p, ":py:class:`~mordred.MoRSE.MoRSE` ('p', 26)", 3D, "3D-MoRSE weighted by polarizability (distance = 26)" 1510, , Mor27p, ":py:class:`~mordred.MoRSE.MoRSE` ('p', 27)", 3D, "3D-MoRSE weighted by polarizability (distance = 27)" 1511, , Mor28p, ":py:class:`~mordred.MoRSE.MoRSE` ('p', 28)", 3D, "3D-MoRSE weighted by polarizability (distance = 28)" 1512, , Mor29p, ":py:class:`~mordred.MoRSE.MoRSE` ('p', 29)", 3D, "3D-MoRSE weighted by polarizability (distance = 29)" 1513, , Mor30p, ":py:class:`~mordred.MoRSE.MoRSE` ('p', 30)", 3D, "3D-MoRSE weighted by polarizability (distance = 30)" 1514, , Mor31p, ":py:class:`~mordred.MoRSE.MoRSE` ('p', 31)", 3D, "3D-MoRSE weighted by polarizability (distance = 31)" 1515, , Mor32p, ":py:class:`~mordred.MoRSE.MoRSE` ('p', 32)", 3D, "3D-MoRSE weighted by polarizability (distance = 32)" 1516, :py:mod:`~mordred.MoeType`, LabuteASA, ":py:class:`~mordred.MoeType.LabuteASA` ()", 2D, "Labute's Approximate Surface Area" 1517, , PEOE_VSA1, ":py:class:`~mordred.MoeType.PEOE_VSA` (1)", 2D, "MOE Charge VSA Descriptor 1 (-inf < x < -0.30)" 1518, , PEOE_VSA2, ":py:class:`~mordred.MoeType.PEOE_VSA` (2)", 2D, "MOE Charge VSA Descriptor 2 (-0.30 <= x < -0.25)" 1519, , PEOE_VSA3, ":py:class:`~mordred.MoeType.PEOE_VSA` (3)", 2D, "MOE Charge VSA Descriptor 3 (-0.25 <= x < -0.20)" 1520, , PEOE_VSA4, ":py:class:`~mordred.MoeType.PEOE_VSA` (4)", 2D, "MOE Charge VSA Descriptor 4 (-0.20 <= x < -0.15)" 1521, , PEOE_VSA5, ":py:class:`~mordred.MoeType.PEOE_VSA` (5)", 2D, "MOE Charge VSA Descriptor 5 (-0.15 <= x < -0.10)" 1522, , PEOE_VSA6, ":py:class:`~mordred.MoeType.PEOE_VSA` (6)", 2D, "MOE Charge VSA Descriptor 6 (-0.10 <= x < -0.05)" 1523, , PEOE_VSA7, ":py:class:`~mordred.MoeType.PEOE_VSA` (7)", 2D, "MOE Charge VSA Descriptor 7 (-0.05 <= x < 0.00)" 1524, , PEOE_VSA8, ":py:class:`~mordred.MoeType.PEOE_VSA` (8)", 2D, "MOE Charge VSA Descriptor 8 ( 0.00 <= x < 0.05)" 1525, , PEOE_VSA9, ":py:class:`~mordred.MoeType.PEOE_VSA` (9)", 2D, "MOE Charge VSA Descriptor 9 ( 0.05 <= x < 0.10)" 1526, , PEOE_VSA10, ":py:class:`~mordred.MoeType.PEOE_VSA` (10)", 2D, "MOE Charge VSA Descriptor 10 ( 0.10 <= x < 0.15)" 1527, , PEOE_VSA11, ":py:class:`~mordred.MoeType.PEOE_VSA` (11)", 2D, "MOE Charge VSA Descriptor 11 ( 0.15 <= x < 0.20)" 1528, , PEOE_VSA12, ":py:class:`~mordred.MoeType.PEOE_VSA` (12)", 2D, "MOE Charge VSA Descriptor 12 ( 0.20 <= x < 0.25)" 1529, , PEOE_VSA13, ":py:class:`~mordred.MoeType.PEOE_VSA` (13)", 2D, "MOE Charge VSA Descriptor 13 ( 0.25 <= x < 0.30)" 1530, , SMR_VSA1, ":py:class:`~mordred.MoeType.SMR_VSA` (1)", 2D, "MOE MR VSA Descriptor 1 (-inf < x < 1.29)" 1531, , SMR_VSA2, ":py:class:`~mordred.MoeType.SMR_VSA` (2)", 2D, "MOE MR VSA Descriptor 2 ( 1.29 <= x < 1.82)" 1532, , SMR_VSA3, ":py:class:`~mordred.MoeType.SMR_VSA` (3)", 2D, "MOE MR VSA Descriptor 3 ( 1.82 <= x < 2.24)" 1533, , SMR_VSA4, ":py:class:`~mordred.MoeType.SMR_VSA` (4)", 2D, "MOE MR VSA Descriptor 4 ( 2.24 <= x < 2.45)" 1534, , SMR_VSA5, ":py:class:`~mordred.MoeType.SMR_VSA` (5)", 2D, "MOE MR VSA Descriptor 5 ( 2.45 <= x < 2.75)" 1535, , SMR_VSA6, ":py:class:`~mordred.MoeType.SMR_VSA` (6)", 2D, "MOE MR VSA Descriptor 6 ( 2.75 <= x < 3.05)" 1536, , SMR_VSA7, ":py:class:`~mordred.MoeType.SMR_VSA` (7)", 2D, "MOE MR VSA Descriptor 7 ( 3.05 <= x < 3.63)" 1537, , SMR_VSA8, ":py:class:`~mordred.MoeType.SMR_VSA` (8)", 2D, "MOE MR VSA Descriptor 8 ( 3.63 <= x < 3.80)" 1538, , SMR_VSA9, ":py:class:`~mordred.MoeType.SMR_VSA` (9)", 2D, "MOE MR VSA Descriptor 9 ( 3.80 <= x < 4.00)" 1539, , SlogP_VSA1, ":py:class:`~mordred.MoeType.SlogP_VSA` (1)", 2D, "MOE logP VSA Descriptor 1 (-inf < x < -0.40)" 1540, , SlogP_VSA2, ":py:class:`~mordred.MoeType.SlogP_VSA` (2)", 2D, "MOE logP VSA Descriptor 2 (-0.40 <= x < -0.20)" 1541, , SlogP_VSA3, ":py:class:`~mordred.MoeType.SlogP_VSA` (3)", 2D, "MOE logP VSA Descriptor 3 (-0.20 <= x < 0.00)" 1542, , SlogP_VSA4, ":py:class:`~mordred.MoeType.SlogP_VSA` (4)", 2D, "MOE logP VSA Descriptor 4 ( 0.00 <= x < 0.10)" 1543, , SlogP_VSA5, ":py:class:`~mordred.MoeType.SlogP_VSA` (5)", 2D, "MOE logP VSA Descriptor 5 ( 0.10 <= x < 0.15)" 1544, , SlogP_VSA6, ":py:class:`~mordred.MoeType.SlogP_VSA` (6)", 2D, "MOE logP VSA Descriptor 6 ( 0.15 <= x < 0.20)" 1545, , SlogP_VSA7, ":py:class:`~mordred.MoeType.SlogP_VSA` (7)", 2D, "MOE logP VSA Descriptor 7 ( 0.20 <= x < 0.25)" 1546, , SlogP_VSA8, ":py:class:`~mordred.MoeType.SlogP_VSA` (8)", 2D, "MOE logP VSA Descriptor 8 ( 0.25 <= x < 0.30)" 1547, , SlogP_VSA9, ":py:class:`~mordred.MoeType.SlogP_VSA` (9)", 2D, "MOE logP VSA Descriptor 9 ( 0.30 <= x < 0.40)" 1548, , SlogP_VSA10, ":py:class:`~mordred.MoeType.SlogP_VSA` (10)", 2D, "MOE logP VSA Descriptor 10 ( 0.40 <= x < 0.50)" 1549, , SlogP_VSA11, ":py:class:`~mordred.MoeType.SlogP_VSA` (11)", 2D, "MOE logP VSA Descriptor 11 ( 0.50 <= x < 0.60)" 1550, , EState_VSA1, ":py:class:`~mordred.MoeType.EState_VSA` (1)", 2D, "EState VSA Descriptor 1 (-inf < x < -0.39)" 1551, , EState_VSA2, ":py:class:`~mordred.MoeType.EState_VSA` (2)", 2D, "EState VSA Descriptor 2 ( -0.39 <= x < 0.29)" 1552, , EState_VSA3, ":py:class:`~mordred.MoeType.EState_VSA` (3)", 2D, "EState VSA Descriptor 3 ( 0.29 <= x < 0.72)" 1553, , EState_VSA4, ":py:class:`~mordred.MoeType.EState_VSA` (4)", 2D, "EState VSA Descriptor 4 ( 0.72 <= x < 1.17)" 1554, , EState_VSA5, ":py:class:`~mordred.MoeType.EState_VSA` (5)", 2D, "EState VSA Descriptor 5 ( 1.17 <= x < 1.54)" 1555, , EState_VSA6, ":py:class:`~mordred.MoeType.EState_VSA` (6)", 2D, "EState VSA Descriptor 6 ( 1.54 <= x < 1.81)" 1556, , EState_VSA7, ":py:class:`~mordred.MoeType.EState_VSA` (7)", 2D, "EState VSA Descriptor 7 ( 1.81 <= x < 2.05)" 1557, , EState_VSA8, ":py:class:`~mordred.MoeType.EState_VSA` (8)", 2D, "EState VSA Descriptor 8 ( 2.05 <= x < 4.69)" 1558, , EState_VSA9, ":py:class:`~mordred.MoeType.EState_VSA` (9)", 2D, "EState VSA Descriptor 9 ( 4.69 <= x < 9.17)" 1559, , EState_VSA10, ":py:class:`~mordred.MoeType.EState_VSA` (10)", 2D, "EState VSA Descriptor 10 ( 9.17 <= x < 15.00)" 1560, , VSA_EState1, ":py:class:`~mordred.MoeType.VSA_EState` (1)", 2D, "VSA EState Descriptor 1 (-inf < x < 4.78)" 1561, , VSA_EState2, ":py:class:`~mordred.MoeType.VSA_EState` (2)", 2D, "VSA EState Descriptor 2 ( 4.78 <= x < 5.00)" 1562, , VSA_EState3, ":py:class:`~mordred.MoeType.VSA_EState` (3)", 2D, "VSA EState Descriptor 3 ( 5.00 <= x < 5.41)" 1563, , VSA_EState4, ":py:class:`~mordred.MoeType.VSA_EState` (4)", 2D, "VSA EState Descriptor 4 ( 5.41 <= x < 5.74)" 1564, , VSA_EState5, ":py:class:`~mordred.MoeType.VSA_EState` (5)", 2D, "VSA EState Descriptor 5 ( 5.74 <= x < 6.00)" 1565, , VSA_EState6, ":py:class:`~mordred.MoeType.VSA_EState` (6)", 2D, "VSA EState Descriptor 6 ( 6.00 <= x < 6.07)" 1566, , VSA_EState7, ":py:class:`~mordred.MoeType.VSA_EState` (7)", 2D, "VSA EState Descriptor 7 ( 6.07 <= x < 6.45)" 1567, , VSA_EState8, ":py:class:`~mordred.MoeType.VSA_EState` (8)", 2D, "VSA EState Descriptor 8 ( 6.45 <= x < 7.00)" 1568, , VSA_EState9, ":py:class:`~mordred.MoeType.VSA_EState` (9)", 2D, "VSA EState Descriptor 9 ( 7.00 <= x < 11.00)" 1569, :py:mod:`~mordred.MolecularDistanceEdge`, MDEC-11, ":py:class:`~mordred.MolecularDistanceEdge.MolecularDistanceEdge` (1, 1, 'C')", 2D, "molecular distance edge between primary C and primary C" 1570, , MDEC-12, ":py:class:`~mordred.MolecularDistanceEdge.MolecularDistanceEdge` (1, 2, 'C')", 2D, "molecular distance edge between primary C and secondary C" 1571, , MDEC-13, ":py:class:`~mordred.MolecularDistanceEdge.MolecularDistanceEdge` (1, 3, 'C')", 2D, "molecular distance edge between primary C and tertiary C" 1572, , MDEC-14, ":py:class:`~mordred.MolecularDistanceEdge.MolecularDistanceEdge` (1, 4, 'C')", 2D, "molecular distance edge between primary C and quaternary C" 1573, , MDEC-22, ":py:class:`~mordred.MolecularDistanceEdge.MolecularDistanceEdge` (2, 2, 'C')", 2D, "molecular distance edge between secondary C and secondary C" 1574, , MDEC-23, ":py:class:`~mordred.MolecularDistanceEdge.MolecularDistanceEdge` (2, 3, 'C')", 2D, "molecular distance edge between secondary C and tertiary C" 1575, , MDEC-24, ":py:class:`~mordred.MolecularDistanceEdge.MolecularDistanceEdge` (2, 4, 'C')", 2D, "molecular distance edge between secondary C and quaternary C" 1576, , MDEC-33, ":py:class:`~mordred.MolecularDistanceEdge.MolecularDistanceEdge` (3, 3, 'C')", 2D, "molecular distance edge between tertiary C and tertiary C" 1577, , MDEC-34, ":py:class:`~mordred.MolecularDistanceEdge.MolecularDistanceEdge` (3, 4, 'C')", 2D, "molecular distance edge between tertiary C and quaternary C" 1578, , MDEC-44, ":py:class:`~mordred.MolecularDistanceEdge.MolecularDistanceEdge` (4, 4, 'C')", 2D, "molecular distance edge between quaternary C and quaternary C" 1579, , MDEO-11, ":py:class:`~mordred.MolecularDistanceEdge.MolecularDistanceEdge` (1, 1, 'O')", 2D, "molecular distance edge between primary O and primary O" 1580, , MDEO-12, ":py:class:`~mordred.MolecularDistanceEdge.MolecularDistanceEdge` (1, 2, 'O')", 2D, "molecular distance edge between primary O and secondary O" 1581, , MDEO-22, ":py:class:`~mordred.MolecularDistanceEdge.MolecularDistanceEdge` (2, 2, 'O')", 2D, "molecular distance edge between secondary O and secondary O" 1582, , MDEN-11, ":py:class:`~mordred.MolecularDistanceEdge.MolecularDistanceEdge` (1, 1, 'N')", 2D, "molecular distance edge between primary N and primary N" 1583, , MDEN-12, ":py:class:`~mordred.MolecularDistanceEdge.MolecularDistanceEdge` (1, 2, 'N')", 2D, "molecular distance edge between primary N and secondary N" 1584, , MDEN-13, ":py:class:`~mordred.MolecularDistanceEdge.MolecularDistanceEdge` (1, 3, 'N')", 2D, "molecular distance edge between primary N and tertiary N" 1585, , MDEN-22, ":py:class:`~mordred.MolecularDistanceEdge.MolecularDistanceEdge` (2, 2, 'N')", 2D, "molecular distance edge between secondary N and secondary N" 1586, , MDEN-23, ":py:class:`~mordred.MolecularDistanceEdge.MolecularDistanceEdge` (2, 3, 'N')", 2D, "molecular distance edge between secondary N and tertiary N" 1587, , MDEN-33, ":py:class:`~mordred.MolecularDistanceEdge.MolecularDistanceEdge` (3, 3, 'N')", 2D, "molecular distance edge between tertiary N and tertiary N" 1588, :py:mod:`~mordred.MolecularId`, MID, ":py:class:`~mordred.MolecularId.MolecularId` ('any', False, 1e-10)", 2D, "molecular ID" 1589, , AMID, ":py:class:`~mordred.MolecularId.MolecularId` ('any', True, 1e-10)", 2D, "averaged molecular ID" 1590, , MID_h, ":py:class:`~mordred.MolecularId.MolecularId` ('hetero', False, 1e-10)", 2D, "molecular ID on h atoms" 1591, , AMID_h, ":py:class:`~mordred.MolecularId.MolecularId` ('hetero', True, 1e-10)", 2D, "averaged molecular ID on h atoms" 1592, , MID_C, ":py:class:`~mordred.MolecularId.MolecularId` ('C', False, 1e-10)", 2D, "molecular ID on C atoms" 1593, , AMID_C, ":py:class:`~mordred.MolecularId.MolecularId` ('C', True, 1e-10)", 2D, "averaged molecular ID on C atoms" 1594, , MID_N, ":py:class:`~mordred.MolecularId.MolecularId` ('N', False, 1e-10)", 2D, "molecular ID on N atoms" 1595, , AMID_N, ":py:class:`~mordred.MolecularId.MolecularId` ('N', True, 1e-10)", 2D, "averaged molecular ID on N atoms" 1596, , MID_O, ":py:class:`~mordred.MolecularId.MolecularId` ('O', False, 1e-10)", 2D, "molecular ID on O atoms" 1597, , AMID_O, ":py:class:`~mordred.MolecularId.MolecularId` ('O', True, 1e-10)", 2D, "averaged molecular ID on O atoms" 1598, , MID_X, ":py:class:`~mordred.MolecularId.MolecularId` ('X', False, 1e-10)", 2D, "molecular ID on halogen atoms" 1599, , AMID_X, ":py:class:`~mordred.MolecularId.MolecularId` ('X', True, 1e-10)", 2D, "averaged molecular ID on halogen atoms" 1600, :py:mod:`~mordred.MomentOfInertia`, MOMI-X, ":py:class:`~mordred.MomentOfInertia.MomentOfInertia` ('X')", 3D, "moment of inertia (axis = X)" 1601, , MOMI-Y, ":py:class:`~mordred.MomentOfInertia.MomentOfInertia` ('Y')", 3D, "moment of inertia (axis = Y)" 1602, , MOMI-Z, ":py:class:`~mordred.MomentOfInertia.MomentOfInertia` ('Z')", 3D, "moment of inertia (axis = Z)" 1603, :py:mod:`~mordred.PBF`, PBF, ":py:class:`~mordred.PBF.PBF` ()", 3D, "PBF" 1604, :py:mod:`~mordred.PathCount`, MPC2, ":py:class:`~mordred.PathCount.PathCount` (2, False, False, False)", 2D, "2-ordered path count" 1605, , MPC3, ":py:class:`~mordred.PathCount.PathCount` (3, False, False, False)", 2D, "3-ordered path count" 1606, , MPC4, ":py:class:`~mordred.PathCount.PathCount` (4, False, False, False)", 2D, "4-ordered path count" 1607, , MPC5, ":py:class:`~mordred.PathCount.PathCount` (5, False, False, False)", 2D, "5-ordered path count" 1608, , MPC6, ":py:class:`~mordred.PathCount.PathCount` (6, False, False, False)", 2D, "6-ordered path count" 1609, , MPC7, ":py:class:`~mordred.PathCount.PathCount` (7, False, False, False)", 2D, "7-ordered path count" 1610, , MPC8, ":py:class:`~mordred.PathCount.PathCount` (8, False, False, False)", 2D, "8-ordered path count" 1611, , MPC9, ":py:class:`~mordred.PathCount.PathCount` (9, False, False, False)", 2D, "9-ordered path count" 1612, , MPC10, ":py:class:`~mordred.PathCount.PathCount` (10, False, False, False)", 2D, "10-ordered path count" 1613, , TMPC10, ":py:class:`~mordred.PathCount.PathCount` (10, False, True, False)", 2D, "10-ordered total path count" 1614, , piPC1, ":py:class:`~mordred.PathCount.PathCount` (1, True, False, True)", 2D, "1-ordered pi-path count (log scale)" 1615, , piPC2, ":py:class:`~mordred.PathCount.PathCount` (2, True, False, True)", 2D, "2-ordered pi-path count (log scale)" 1616, , piPC3, ":py:class:`~mordred.PathCount.PathCount` (3, True, False, True)", 2D, "3-ordered pi-path count (log scale)" 1617, , piPC4, ":py:class:`~mordred.PathCount.PathCount` (4, True, False, True)", 2D, "4-ordered pi-path count (log scale)" 1618, , piPC5, ":py:class:`~mordred.PathCount.PathCount` (5, True, False, True)", 2D, "5-ordered pi-path count (log scale)" 1619, , piPC6, ":py:class:`~mordred.PathCount.PathCount` (6, True, False, True)", 2D, "6-ordered pi-path count (log scale)" 1620, , piPC7, ":py:class:`~mordred.PathCount.PathCount` (7, True, False, True)", 2D, "7-ordered pi-path count (log scale)" 1621, , piPC8, ":py:class:`~mordred.PathCount.PathCount` (8, True, False, True)", 2D, "8-ordered pi-path count (log scale)" 1622, , piPC9, ":py:class:`~mordred.PathCount.PathCount` (9, True, False, True)", 2D, "9-ordered pi-path count (log scale)" 1623, , piPC10, ":py:class:`~mordred.PathCount.PathCount` (10, True, False, True)", 2D, "10-ordered pi-path count (log scale)" 1624, , TpiPC10, ":py:class:`~mordred.PathCount.PathCount` (10, True, True, True)", 2D, "10-ordered total pi-path count (log scale)" 1625, :py:mod:`~mordred.Polarizability`, apol, ":py:class:`~mordred.Polarizability.APol` (False)", 2D, "atomic polarizability" 1626, , bpol, ":py:class:`~mordred.Polarizability.BPol` (False)", 2D, "bond polarizability" 1627, :py:mod:`~mordred.RingCount`, nRing, ":py:class:`~mordred.RingCount.RingCount` (None, False, False, None, None)", 2D, "ring count" 1628, , n3Ring, ":py:class:`~mordred.RingCount.RingCount` (3, False, False, None, None)", 2D, "3-membered ring count" 1629, , n4Ring, ":py:class:`~mordred.RingCount.RingCount` (4, False, False, None, None)", 2D, "4-membered ring count" 1630, , n5Ring, ":py:class:`~mordred.RingCount.RingCount` (5, False, False, None, None)", 2D, "5-membered ring count" 1631, , n6Ring, ":py:class:`~mordred.RingCount.RingCount` (6, False, False, None, None)", 2D, "6-membered ring count" 1632, , n7Ring, ":py:class:`~mordred.RingCount.RingCount` (7, False, False, None, None)", 2D, "7-membered ring count" 1633, , n8Ring, ":py:class:`~mordred.RingCount.RingCount` (8, False, False, None, None)", 2D, "8-membered ring count" 1634, , n9Ring, ":py:class:`~mordred.RingCount.RingCount` (9, False, False, None, None)", 2D, "9-membered ring count" 1635, , n10Ring, ":py:class:`~mordred.RingCount.RingCount` (10, False, False, None, None)", 2D, "10-membered ring count" 1636, , n11Ring, ":py:class:`~mordred.RingCount.RingCount` (11, False, False, None, None)", 2D, "11-membered ring count" 1637, , n12Ring, ":py:class:`~mordred.RingCount.RingCount` (12, False, False, None, None)", 2D, "12-membered ring count" 1638, , nG12Ring, ":py:class:`~mordred.RingCount.RingCount` (12, True, False, None, None)", 2D, "12-or-greater-membered ring count" 1639, , nHRing, ":py:class:`~mordred.RingCount.RingCount` (None, False, False, None, True)", 2D, "hetero ring count" 1640, , n3HRing, ":py:class:`~mordred.RingCount.RingCount` (3, False, False, None, True)", 2D, "3-membered hetero ring count" 1641, , n4HRing, ":py:class:`~mordred.RingCount.RingCount` (4, False, False, None, True)", 2D, "4-membered hetero ring count" 1642, , n5HRing, ":py:class:`~mordred.RingCount.RingCount` (5, False, False, None, True)", 2D, "5-membered hetero ring count" 1643, , n6HRing, ":py:class:`~mordred.RingCount.RingCount` (6, False, False, None, True)", 2D, "6-membered hetero ring count" 1644, , n7HRing, ":py:class:`~mordred.RingCount.RingCount` (7, False, False, None, True)", 2D, "7-membered hetero ring count" 1645, , n8HRing, ":py:class:`~mordred.RingCount.RingCount` (8, False, False, None, True)", 2D, "8-membered hetero ring count" 1646, , n9HRing, ":py:class:`~mordred.RingCount.RingCount` (9, False, False, None, True)", 2D, "9-membered hetero ring count" 1647, , n10HRing, ":py:class:`~mordred.RingCount.RingCount` (10, False, False, None, True)", 2D, "10-membered hetero ring count" 1648, , n11HRing, ":py:class:`~mordred.RingCount.RingCount` (11, False, False, None, True)", 2D, "11-membered hetero ring count" 1649, , n12HRing, ":py:class:`~mordred.RingCount.RingCount` (12, False, False, None, True)", 2D, "12-membered hetero ring count" 1650, , nG12HRing, ":py:class:`~mordred.RingCount.RingCount` (12, True, False, None, True)", 2D, "12-or-greater-membered hetero ring count" 1651, , naRing, ":py:class:`~mordred.RingCount.RingCount` (None, False, False, True, None)", 2D, "aromatic ring count" 1652, , n3aRing, ":py:class:`~mordred.RingCount.RingCount` (3, False, False, True, None)", 2D, "3-membered aromatic ring count" 1653, , n4aRing, ":py:class:`~mordred.RingCount.RingCount` (4, False, False, True, None)", 2D, "4-membered aromatic ring count" 1654, , n5aRing, ":py:class:`~mordred.RingCount.RingCount` (5, False, False, True, None)", 2D, "5-membered aromatic ring count" 1655, , n6aRing, ":py:class:`~mordred.RingCount.RingCount` (6, False, False, True, None)", 2D, "6-membered aromatic ring count" 1656, , n7aRing, ":py:class:`~mordred.RingCount.RingCount` (7, False, False, True, None)", 2D, "7-membered aromatic ring count" 1657, , n8aRing, ":py:class:`~mordred.RingCount.RingCount` (8, False, False, True, None)", 2D, "8-membered aromatic ring count" 1658, , n9aRing, ":py:class:`~mordred.RingCount.RingCount` (9, False, False, True, None)", 2D, "9-membered aromatic ring count" 1659, , n10aRing, ":py:class:`~mordred.RingCount.RingCount` (10, False, False, True, None)", 2D, "10-membered aromatic ring count" 1660, , n11aRing, ":py:class:`~mordred.RingCount.RingCount` (11, False, False, True, None)", 2D, "11-membered aromatic ring count" 1661, , n12aRing, ":py:class:`~mordred.RingCount.RingCount` (12, False, False, True, None)", 2D, "12-membered aromatic ring count" 1662, , nG12aRing, ":py:class:`~mordred.RingCount.RingCount` (12, True, False, True, None)", 2D, "12-or-greater-membered aromatic ring count" 1663, , naHRing, ":py:class:`~mordred.RingCount.RingCount` (None, False, False, True, True)", 2D, "aromatic hetero ring count" 1664, , n3aHRing, ":py:class:`~mordred.RingCount.RingCount` (3, False, False, True, True)", 2D, "3-membered aromatic hetero ring count" 1665, , n4aHRing, ":py:class:`~mordred.RingCount.RingCount` (4, False, False, True, True)", 2D, "4-membered aromatic hetero ring count" 1666, , n5aHRing, ":py:class:`~mordred.RingCount.RingCount` (5, False, False, True, True)", 2D, "5-membered aromatic hetero ring count" 1667, , n6aHRing, ":py:class:`~mordred.RingCount.RingCount` (6, False, False, True, True)", 2D, "6-membered aromatic hetero ring count" 1668, , n7aHRing, ":py:class:`~mordred.RingCount.RingCount` (7, False, False, True, True)", 2D, "7-membered aromatic hetero ring count" 1669, , n8aHRing, ":py:class:`~mordred.RingCount.RingCount` (8, False, False, True, True)", 2D, "8-membered aromatic hetero ring count" 1670, , n9aHRing, ":py:class:`~mordred.RingCount.RingCount` (9, False, False, True, True)", 2D, "9-membered aromatic hetero ring count" 1671, , n10aHRing, ":py:class:`~mordred.RingCount.RingCount` (10, False, False, True, True)", 2D, "10-membered aromatic hetero ring count" 1672, , n11aHRing, ":py:class:`~mordred.RingCount.RingCount` (11, False, False, True, True)", 2D, "11-membered aromatic hetero ring count" 1673, , n12aHRing, ":py:class:`~mordred.RingCount.RingCount` (12, False, False, True, True)", 2D, "12-membered aromatic hetero ring count" 1674, , nG12aHRing, ":py:class:`~mordred.RingCount.RingCount` (12, True, False, True, True)", 2D, "12-or-greater-membered aromatic hetero ring count" 1675, , nARing, ":py:class:`~mordred.RingCount.RingCount` (None, False, False, False, None)", 2D, "aliphatic ring count" 1676, , n3ARing, ":py:class:`~mordred.RingCount.RingCount` (3, False, False, False, None)", 2D, "3-membered aliphatic ring count" 1677, , n4ARing, ":py:class:`~mordred.RingCount.RingCount` (4, False, False, False, None)", 2D, "4-membered aliphatic ring count" 1678, , n5ARing, ":py:class:`~mordred.RingCount.RingCount` (5, False, False, False, None)", 2D, "5-membered aliphatic ring count" 1679, , n6ARing, ":py:class:`~mordred.RingCount.RingCount` (6, False, False, False, None)", 2D, "6-membered aliphatic ring count" 1680, , n7ARing, ":py:class:`~mordred.RingCount.RingCount` (7, False, False, False, None)", 2D, "7-membered aliphatic ring count" 1681, , n8ARing, ":py:class:`~mordred.RingCount.RingCount` (8, False, False, False, None)", 2D, "8-membered aliphatic ring count" 1682, , n9ARing, ":py:class:`~mordred.RingCount.RingCount` (9, False, False, False, None)", 2D, "9-membered aliphatic ring count" 1683, , n10ARing, ":py:class:`~mordred.RingCount.RingCount` (10, False, False, False, None)", 2D, "10-membered aliphatic ring count" 1684, , n11ARing, ":py:class:`~mordred.RingCount.RingCount` (11, False, False, False, None)", 2D, "11-membered aliphatic ring count" 1685, , n12ARing, ":py:class:`~mordred.RingCount.RingCount` (12, False, False, False, None)", 2D, "12-membered aliphatic ring count" 1686, , nG12ARing, ":py:class:`~mordred.RingCount.RingCount` (12, True, False, False, None)", 2D, "12-or-greater-membered aliphatic ring count" 1687, , nAHRing, ":py:class:`~mordred.RingCount.RingCount` (None, False, False, False, True)", 2D, "aliphatic hetero ring count" 1688, , n3AHRing, ":py:class:`~mordred.RingCount.RingCount` (3, False, False, False, True)", 2D, "3-membered aliphatic hetero ring count" 1689, , n4AHRing, ":py:class:`~mordred.RingCount.RingCount` (4, False, False, False, True)", 2D, "4-membered aliphatic hetero ring count" 1690, , n5AHRing, ":py:class:`~mordred.RingCount.RingCount` (5, False, False, False, True)", 2D, "5-membered aliphatic hetero ring count" 1691, , n6AHRing, ":py:class:`~mordred.RingCount.RingCount` (6, False, False, False, True)", 2D, "6-membered aliphatic hetero ring count" 1692, , n7AHRing, ":py:class:`~mordred.RingCount.RingCount` (7, False, False, False, True)", 2D, "7-membered aliphatic hetero ring count" 1693, , n8AHRing, ":py:class:`~mordred.RingCount.RingCount` (8, False, False, False, True)", 2D, "8-membered aliphatic hetero ring count" 1694, , n9AHRing, ":py:class:`~mordred.RingCount.RingCount` (9, False, False, False, True)", 2D, "9-membered aliphatic hetero ring count" 1695, , n10AHRing, ":py:class:`~mordred.RingCount.RingCount` (10, False, False, False, True)", 2D, "10-membered aliphatic hetero ring count" 1696, , n11AHRing, ":py:class:`~mordred.RingCount.RingCount` (11, False, False, False, True)", 2D, "11-membered aliphatic hetero ring count" 1697, , n12AHRing, ":py:class:`~mordred.RingCount.RingCount` (12, False, False, False, True)", 2D, "12-membered aliphatic hetero ring count" 1698, , nG12AHRing, ":py:class:`~mordred.RingCount.RingCount` (12, True, False, False, True)", 2D, "12-or-greater-membered aliphatic hetero ring count" 1699, , nFRing, ":py:class:`~mordred.RingCount.RingCount` (None, False, True, None, None)", 2D, "fused ring count" 1700, , n4FRing, ":py:class:`~mordred.RingCount.RingCount` (4, False, True, None, None)", 2D, "4-membered fused ring count" 1701, , n5FRing, ":py:class:`~mordred.RingCount.RingCount` (5, False, True, None, None)", 2D, "5-membered fused ring count" 1702, , n6FRing, ":py:class:`~mordred.RingCount.RingCount` (6, False, True, None, None)", 2D, "6-membered fused ring count" 1703, , n7FRing, ":py:class:`~mordred.RingCount.RingCount` (7, False, True, None, None)", 2D, "7-membered fused ring count" 1704, , n8FRing, ":py:class:`~mordred.RingCount.RingCount` (8, False, True, None, None)", 2D, "8-membered fused ring count" 1705, , n9FRing, ":py:class:`~mordred.RingCount.RingCount` (9, False, True, None, None)", 2D, "9-membered fused ring count" 1706, , n10FRing, ":py:class:`~mordred.RingCount.RingCount` (10, False, True, None, None)", 2D, "10-membered fused ring count" 1707, , n11FRing, ":py:class:`~mordred.RingCount.RingCount` (11, False, True, None, None)", 2D, "11-membered fused ring count" 1708, , n12FRing, ":py:class:`~mordred.RingCount.RingCount` (12, False, True, None, None)", 2D, "12-membered fused ring count" 1709, , nG12FRing, ":py:class:`~mordred.RingCount.RingCount` (12, True, True, None, None)", 2D, "12-or-greater-membered fused ring count" 1710, , nFHRing, ":py:class:`~mordred.RingCount.RingCount` (None, False, True, None, True)", 2D, "fused hetero ring count" 1711, , n4FHRing, ":py:class:`~mordred.RingCount.RingCount` (4, False, True, None, True)", 2D, "4-membered fused hetero ring count" 1712, , n5FHRing, ":py:class:`~mordred.RingCount.RingCount` (5, False, True, None, True)", 2D, "5-membered fused hetero ring count" 1713, , n6FHRing, ":py:class:`~mordred.RingCount.RingCount` (6, False, True, None, True)", 2D, "6-membered fused hetero ring count" 1714, , n7FHRing, ":py:class:`~mordred.RingCount.RingCount` (7, False, True, None, True)", 2D, "7-membered fused hetero ring count" 1715, , n8FHRing, ":py:class:`~mordred.RingCount.RingCount` (8, False, True, None, True)", 2D, "8-membered fused hetero ring count" 1716, , n9FHRing, ":py:class:`~mordred.RingCount.RingCount` (9, False, True, None, True)", 2D, "9-membered fused hetero ring count" 1717, , n10FHRing, ":py:class:`~mordred.RingCount.RingCount` (10, False, True, None, True)", 2D, "10-membered fused hetero ring count" 1718, , n11FHRing, ":py:class:`~mordred.RingCount.RingCount` (11, False, True, None, True)", 2D, "11-membered fused hetero ring count" 1719, , n12FHRing, ":py:class:`~mordred.RingCount.RingCount` (12, False, True, None, True)", 2D, "12-membered fused hetero ring count" 1720, , nG12FHRing, ":py:class:`~mordred.RingCount.RingCount` (12, True, True, None, True)", 2D, "12-or-greater-membered fused hetero ring count" 1721, , nFaRing, ":py:class:`~mordred.RingCount.RingCount` (None, False, True, True, None)", 2D, "aromatic fused ring count" 1722, , n4FaRing, ":py:class:`~mordred.RingCount.RingCount` (4, False, True, True, None)", 2D, "4-membered aromatic fused ring count" 1723, , n5FaRing, ":py:class:`~mordred.RingCount.RingCount` (5, False, True, True, None)", 2D, "5-membered aromatic fused ring count" 1724, , n6FaRing, ":py:class:`~mordred.RingCount.RingCount` (6, False, True, True, None)", 2D, "6-membered aromatic fused ring count" 1725, , n7FaRing, ":py:class:`~mordred.RingCount.RingCount` (7, False, True, True, None)", 2D, "7-membered aromatic fused ring count" 1726, , n8FaRing, ":py:class:`~mordred.RingCount.RingCount` (8, False, True, True, None)", 2D, "8-membered aromatic fused ring count" 1727, , n9FaRing, ":py:class:`~mordred.RingCount.RingCount` (9, False, True, True, None)", 2D, "9-membered aromatic fused ring count" 1728, , n10FaRing, ":py:class:`~mordred.RingCount.RingCount` (10, False, True, True, None)", 2D, "10-membered aromatic fused ring count" 1729, , n11FaRing, ":py:class:`~mordred.RingCount.RingCount` (11, False, True, True, None)", 2D, "11-membered aromatic fused ring count" 1730, , n12FaRing, ":py:class:`~mordred.RingCount.RingCount` (12, False, True, True, None)", 2D, "12-membered aromatic fused ring count" 1731, , nG12FaRing, ":py:class:`~mordred.RingCount.RingCount` (12, True, True, True, None)", 2D, "12-or-greater-membered aromatic fused ring count" 1732, , nFaHRing, ":py:class:`~mordred.RingCount.RingCount` (None, False, True, True, True)", 2D, "aromatic fused hetero ring count" 1733, , n4FaHRing, ":py:class:`~mordred.RingCount.RingCount` (4, False, True, True, True)", 2D, "4-membered aromatic fused hetero ring count" 1734, , n5FaHRing, ":py:class:`~mordred.RingCount.RingCount` (5, False, True, True, True)", 2D, "5-membered aromatic fused hetero ring count" 1735, , n6FaHRing, ":py:class:`~mordred.RingCount.RingCount` (6, False, True, True, True)", 2D, "6-membered aromatic fused hetero ring count" 1736, , n7FaHRing, ":py:class:`~mordred.RingCount.RingCount` (7, False, True, True, True)", 2D, "7-membered aromatic fused hetero ring count" 1737, , n8FaHRing, ":py:class:`~mordred.RingCount.RingCount` (8, False, True, True, True)", 2D, "8-membered aromatic fused hetero ring count" 1738, , n9FaHRing, ":py:class:`~mordred.RingCount.RingCount` (9, False, True, True, True)", 2D, "9-membered aromatic fused hetero ring count" 1739, , n10FaHRing, ":py:class:`~mordred.RingCount.RingCount` (10, False, True, True, True)", 2D, "10-membered aromatic fused hetero ring count" 1740, , n11FaHRing, ":py:class:`~mordred.RingCount.RingCount` (11, False, True, True, True)", 2D, "11-membered aromatic fused hetero ring count" 1741, , n12FaHRing, ":py:class:`~mordred.RingCount.RingCount` (12, False, True, True, True)", 2D, "12-membered aromatic fused hetero ring count" 1742, , nG12FaHRing, ":py:class:`~mordred.RingCount.RingCount` (12, True, True, True, True)", 2D, "12-or-greater-membered aromatic fused hetero ring count" 1743, , nFARing, ":py:class:`~mordred.RingCount.RingCount` (None, False, True, False, None)", 2D, "aliphatic fused ring count" 1744, , n4FARing, ":py:class:`~mordred.RingCount.RingCount` (4, False, True, False, None)", 2D, "4-membered aliphatic fused ring count" 1745, , n5FARing, ":py:class:`~mordred.RingCount.RingCount` (5, False, True, False, None)", 2D, "5-membered aliphatic fused ring count" 1746, , n6FARing, ":py:class:`~mordred.RingCount.RingCount` (6, False, True, False, None)", 2D, "6-membered aliphatic fused ring count" 1747, , n7FARing, ":py:class:`~mordred.RingCount.RingCount` (7, False, True, False, None)", 2D, "7-membered aliphatic fused ring count" 1748, , n8FARing, ":py:class:`~mordred.RingCount.RingCount` (8, False, True, False, None)", 2D, "8-membered aliphatic fused ring count" 1749, , n9FARing, ":py:class:`~mordred.RingCount.RingCount` (9, False, True, False, None)", 2D, "9-membered aliphatic fused ring count" 1750, , n10FARing, ":py:class:`~mordred.RingCount.RingCount` (10, False, True, False, None)", 2D, "10-membered aliphatic fused ring count" 1751, , n11FARing, ":py:class:`~mordred.RingCount.RingCount` (11, False, True, False, None)", 2D, "11-membered aliphatic fused ring count" 1752, , n12FARing, ":py:class:`~mordred.RingCount.RingCount` (12, False, True, False, None)", 2D, "12-membered aliphatic fused ring count" 1753, , nG12FARing, ":py:class:`~mordred.RingCount.RingCount` (12, True, True, False, None)", 2D, "12-or-greater-membered aliphatic fused ring count" 1754, , nFAHRing, ":py:class:`~mordred.RingCount.RingCount` (None, False, True, False, True)", 2D, "aliphatic fused hetero ring count" 1755, , n4FAHRing, ":py:class:`~mordred.RingCount.RingCount` (4, False, True, False, True)", 2D, "4-membered aliphatic fused hetero ring count" 1756, , n5FAHRing, ":py:class:`~mordred.RingCount.RingCount` (5, False, True, False, True)", 2D, "5-membered aliphatic fused hetero ring count" 1757, , n6FAHRing, ":py:class:`~mordred.RingCount.RingCount` (6, False, True, False, True)", 2D, "6-membered aliphatic fused hetero ring count" 1758, , n7FAHRing, ":py:class:`~mordred.RingCount.RingCount` (7, False, True, False, True)", 2D, "7-membered aliphatic fused hetero ring count" 1759, , n8FAHRing, ":py:class:`~mordred.RingCount.RingCount` (8, False, True, False, True)", 2D, "8-membered aliphatic fused hetero ring count" 1760, , n9FAHRing, ":py:class:`~mordred.RingCount.RingCount` (9, False, True, False, True)", 2D, "9-membered aliphatic fused hetero ring count" 1761, , n10FAHRing, ":py:class:`~mordred.RingCount.RingCount` (10, False, True, False, True)", 2D, "10-membered aliphatic fused hetero ring count" 1762, , n11FAHRing, ":py:class:`~mordred.RingCount.RingCount` (11, False, True, False, True)", 2D, "11-membered aliphatic fused hetero ring count" 1763, , n12FAHRing, ":py:class:`~mordred.RingCount.RingCount` (12, False, True, False, True)", 2D, "12-membered aliphatic fused hetero ring count" 1764, , nG12FAHRing, ":py:class:`~mordred.RingCount.RingCount` (12, True, True, False, True)", 2D, "12-or-greater-membered aliphatic fused hetero ring count" 1765, :py:mod:`~mordred.RotatableBond`, nRot, ":py:class:`~mordred.RotatableBond.RotatableBondsCount` ()", 2D, "rotatable bonds count" 1766, , RotRatio, ":py:class:`~mordred.RotatableBond.RotatableBondsRatio` ()", 2D, "rotatable bonds ratio" 1767, :py:mod:`~mordred.SLogP`, SLogP, ":py:class:`~mordred.SLogP.SLogP` ()", 2D, "Wildman-Crippen LogP" 1768, , SMR, ":py:class:`~mordred.SLogP.SMR` ()", 2D, "Wildman-Crippen MR" 1769, :py:mod:`~mordred.TopoPSA`, TopoPSA(NO), ":py:class:`~mordred.TopoPSA.TopoPSA` (True)", 2D, "topological polar surface area (use only nitrogen and oxygen)" 1770, , TopoPSA, ":py:class:`~mordred.TopoPSA.TopoPSA` (False)", 2D, "topological polar surface area" 1771, :py:mod:`~mordred.TopologicalCharge`, GGI1, ":py:class:`~mordred.TopologicalCharge.TopologicalCharge` ('raw', 1)", 2D, "1-ordered raw topological charge" 1772, , GGI2, ":py:class:`~mordred.TopologicalCharge.TopologicalCharge` ('raw', 2)", 2D, "2-ordered raw topological charge" 1773, , GGI3, ":py:class:`~mordred.TopologicalCharge.TopologicalCharge` ('raw', 3)", 2D, "3-ordered raw topological charge" 1774, , GGI4, ":py:class:`~mordred.TopologicalCharge.TopologicalCharge` ('raw', 4)", 2D, "4-ordered raw topological charge" 1775, , GGI5, ":py:class:`~mordred.TopologicalCharge.TopologicalCharge` ('raw', 5)", 2D, "5-ordered raw topological charge" 1776, , GGI6, ":py:class:`~mordred.TopologicalCharge.TopologicalCharge` ('raw', 6)", 2D, "6-ordered raw topological charge" 1777, , GGI7, ":py:class:`~mordred.TopologicalCharge.TopologicalCharge` ('raw', 7)", 2D, "7-ordered raw topological charge" 1778, , GGI8, ":py:class:`~mordred.TopologicalCharge.TopologicalCharge` ('raw', 8)", 2D, "8-ordered raw topological charge" 1779, , GGI9, ":py:class:`~mordred.TopologicalCharge.TopologicalCharge` ('raw', 9)", 2D, "9-ordered raw topological charge" 1780, , GGI10, ":py:class:`~mordred.TopologicalCharge.TopologicalCharge` ('raw', 10)", 2D, "10-ordered raw topological charge" 1781, , JGI1, ":py:class:`~mordred.TopologicalCharge.TopologicalCharge` ('mean', 1)", 2D, "1-ordered mean topological charge" 1782, , JGI2, ":py:class:`~mordred.TopologicalCharge.TopologicalCharge` ('mean', 2)", 2D, "2-ordered mean topological charge" 1783, , JGI3, ":py:class:`~mordred.TopologicalCharge.TopologicalCharge` ('mean', 3)", 2D, "3-ordered mean topological charge" 1784, , JGI4, ":py:class:`~mordred.TopologicalCharge.TopologicalCharge` ('mean', 4)", 2D, "4-ordered mean topological charge" 1785, , JGI5, ":py:class:`~mordred.TopologicalCharge.TopologicalCharge` ('mean', 5)", 2D, "5-ordered mean topological charge" 1786, , JGI6, ":py:class:`~mordred.TopologicalCharge.TopologicalCharge` ('mean', 6)", 2D, "6-ordered mean topological charge" 1787, , JGI7, ":py:class:`~mordred.TopologicalCharge.TopologicalCharge` ('mean', 7)", 2D, "7-ordered mean topological charge" 1788, , JGI8, ":py:class:`~mordred.TopologicalCharge.TopologicalCharge` ('mean', 8)", 2D, "8-ordered mean topological charge" 1789, , JGI9, ":py:class:`~mordred.TopologicalCharge.TopologicalCharge` ('mean', 9)", 2D, "9-ordered mean topological charge" 1790, , JGI10, ":py:class:`~mordred.TopologicalCharge.TopologicalCharge` ('mean', 10)", 2D, "10-ordered mean topological charge" 1791, , JGT10, ":py:class:`~mordred.TopologicalCharge.TopologicalCharge` ('global', 10)", 2D, "10-ordered global topological charge" 1792, :py:mod:`~mordred.TopologicalIndex`, Diameter, ":py:class:`~mordred.TopologicalIndex.Diameter` ()", 2D, "topological diameter" 1793, , Radius, ":py:class:`~mordred.TopologicalIndex.Radius` ()", 2D, "topological radius" 1794, , TopoShapeIndex, ":py:class:`~mordred.TopologicalIndex.TopologicalShapeIndex` ()", 2D, "topological shape index" 1795, , PetitjeanIndex, ":py:class:`~mordred.TopologicalIndex.PetitjeanIndex` ()", 2D, "Petitjean index" 1796, :py:mod:`~mordred.VdwVolumeABC`, Vabc, ":py:class:`~mordred.VdwVolumeABC.VdwVolumeABC` ()", 2D, "ABC van der waals volume" 1797, :py:mod:`~mordred.VertexAdjacencyInformation`, VAdjMat, ":py:class:`~mordred.VertexAdjacencyInformation.VertexAdjacencyInformation` ()", 2D, "vertex adjacency information" 1798, :py:mod:`~mordred.WalkCount`, MWC01, ":py:class:`~mordred.WalkCount.WalkCount` (1, False, False)", 2D, "walk count (leg-1)" 1799, , MWC02, ":py:class:`~mordred.WalkCount.WalkCount` (2, False, False)", 2D, "walk count (leg-2)" 1800, , MWC03, ":py:class:`~mordred.WalkCount.WalkCount` (3, False, False)", 2D, "walk count (leg-3)" 1801, , MWC04, ":py:class:`~mordred.WalkCount.WalkCount` (4, False, False)", 2D, "walk count (leg-4)" 1802, , MWC05, ":py:class:`~mordred.WalkCount.WalkCount` (5, False, False)", 2D, "walk count (leg-5)" 1803, , MWC06, ":py:class:`~mordred.WalkCount.WalkCount` (6, False, False)", 2D, "walk count (leg-6)" 1804, , MWC07, ":py:class:`~mordred.WalkCount.WalkCount` (7, False, False)", 2D, "walk count (leg-7)" 1805, , MWC08, ":py:class:`~mordred.WalkCount.WalkCount` (8, False, False)", 2D, "walk count (leg-8)" 1806, , MWC09, ":py:class:`~mordred.WalkCount.WalkCount` (9, False, False)", 2D, "walk count (leg-9)" 1807, , MWC10, ":py:class:`~mordred.WalkCount.WalkCount` (10, False, False)", 2D, "walk count (leg-10)" 1808, , TMWC10, ":py:class:`~mordred.WalkCount.WalkCount` (10, True, False)", 2D, "total walk count (leg-10)" 1809, , SRW02, ":py:class:`~mordred.WalkCount.WalkCount` (2, False, True)", 2D, "walk count (leg-2, only self returning walk)" 1810, , SRW03, ":py:class:`~mordred.WalkCount.WalkCount` (3, False, True)", 2D, "walk count (leg-3, only self returning walk)" 1811, , SRW04, ":py:class:`~mordred.WalkCount.WalkCount` (4, False, True)", 2D, "walk count (leg-4, only self returning walk)" 1812, , SRW05, ":py:class:`~mordred.WalkCount.WalkCount` (5, False, True)", 2D, "walk count (leg-5, only self returning walk)" 1813, , SRW06, ":py:class:`~mordred.WalkCount.WalkCount` (6, False, True)", 2D, "walk count (leg-6, only self returning walk)" 1814, , SRW07, ":py:class:`~mordred.WalkCount.WalkCount` (7, False, True)", 2D, "walk count (leg-7, only self returning walk)" 1815, , SRW08, ":py:class:`~mordred.WalkCount.WalkCount` (8, False, True)", 2D, "walk count (leg-8, only self returning walk)" 1816, , SRW09, ":py:class:`~mordred.WalkCount.WalkCount` (9, False, True)", 2D, "walk count (leg-9, only self returning walk)" 1817, , SRW10, ":py:class:`~mordred.WalkCount.WalkCount` (10, False, True)", 2D, "walk count (leg-10, only self returning walk)" 1818, , TSRW10, ":py:class:`~mordred.WalkCount.WalkCount` (10, True, True)", 2D, "total walk count (leg-10, only self returning walk)" 1819, :py:mod:`~mordred.Weight`, MW, ":py:class:`~mordred.Weight.Weight` (True, False)", 2D, "exact molecular weight" 1820, , AMW, ":py:class:`~mordred.Weight.Weight` (True, True)", 2D, "averaged exact molecular weight" 1821, :py:mod:`~mordred.WienerIndex`, WPath, ":py:class:`~mordred.WienerIndex.WienerIndex` (False)", 2D, "Wiener index" 1822, , WPol, ":py:class:`~mordred.WienerIndex.WienerIndex` (True)", 2D, "Wiener polarity index" 1823, :py:mod:`~mordred.ZagrebIndex`, Zagreb1, ":py:class:`~mordred.ZagrebIndex.ZagrebIndex` (1, 1)", 2D, "Zagreb index (version 1)" 1824, , Zagreb2, ":py:class:`~mordred.ZagrebIndex.ZagrebIndex` (2, 1)", 2D, "Zagreb index (version 2)" 1825, , mZagreb1, ":py:class:`~mordred.ZagrebIndex.ZagrebIndex` (1, -1)", 2D, "modified Zagreb index (version 1)" 1826, , mZagreb2, ":py:class:`~mordred.ZagrebIndex.ZagrebIndex` (2, -1)", 2D, "modified Zagreb index (version 2)"