Descriptor List¶
preset descriptors
calc = Calculator(descriptors)
| # | module | name | constructor | dim | description |
|---|---|---|---|---|---|
| 1 | ABCIndex |
ABC | ABCIndex () |
2D | atom-bond connectivity index |
| 2 | ABCGG | ABCGGIndex () |
2D | Graovac-Ghorbani atom-bond connectivity index | |
| 3 | AcidBase |
nAcid | AcidicGroupCount () |
2D | acidic group count |
| 4 | nBase | BasicGroupCount () |
2D | basic group count | |
| 5 | AdjacencyMatrix |
SpAbs_A | AdjacencyMatrix (‘SpAbs’) |
2D | SpAbs of adjacency matrix |
| 6 | SpMax_A | AdjacencyMatrix (‘SpMax’) |
2D | SpMax of adjacency matrix | |
| 7 | SpDiam_A | AdjacencyMatrix (‘SpDiam’) |
2D | SpDiam of adjacency matrix | |
| 8 | SpAD_A | AdjacencyMatrix (‘SpAD’) |
2D | SpAD of adjacency matrix | |
| 9 | SpMAD_A | AdjacencyMatrix (‘SpMAD’) |
2D | SpMAD of adjacency matrix | |
| 10 | LogEE_A | AdjacencyMatrix (‘LogEE’) |
2D | LogEE of adjacency matrix | |
| 11 | SM1_A | AdjacencyMatrix (‘SM1’) |
2D | SM1 of adjacency matrix | |
| 12 | VE1_A | AdjacencyMatrix (‘VE1’) |
2D | VE1 of adjacency matrix | |
| 13 | VE2_A | AdjacencyMatrix (‘VE2’) |
2D | VE2 of adjacency matrix | |
| 14 | VE3_A | AdjacencyMatrix (‘VE3’) |
2D | VE3 of adjacency matrix | |
| 15 | VR1_A | AdjacencyMatrix (‘VR1’) |
2D | VR1 of adjacency matrix | |
| 16 | VR2_A | AdjacencyMatrix (‘VR2’) |
2D | VR2 of adjacency matrix | |
| 17 | VR3_A | AdjacencyMatrix (‘VR3’) |
2D | VR3 of adjacency matrix | |
| 18 | Aromatic |
nAromAtom | AromaticAtomsCount () |
2D | aromatic atoms count |
| 19 | nAromBond | AromaticBondsCount () |
2D | aromatic bonds count | |
| 20 | AtomCount |
nAtom | AtomCount (‘Atom’) |
2D | number of all atoms |
| 21 | nHeavyAtom | AtomCount (‘HeavyAtom’) |
2D | number of heavy atoms | |
| 22 | nSpiro | AtomCount (‘Spiro’) |
2D | number of spiro atoms | |
| 23 | nBridgehead | AtomCount (‘Bridgehead’) |
2D | number of bridgehead atoms | |
| 24 | nH | AtomCount (‘H’) |
2D | number of H atoms | |
| 25 | nB | AtomCount (‘B’) |
2D | number of B atoms | |
| 26 | nC | AtomCount (‘C’) |
2D | number of C atoms | |
| 27 | nN | AtomCount (‘N’) |
2D | number of N atoms | |
| 28 | nO | AtomCount (‘O’) |
2D | number of O atoms | |
| 29 | nS | AtomCount (‘S’) |
2D | number of S atoms | |
| 30 | nP | AtomCount (‘P’) |
2D | number of P atoms | |
| 31 | nF | AtomCount (‘F’) |
2D | number of F atoms | |
| 32 | nCl | AtomCount (‘Cl’) |
2D | number of Cl atoms | |
| 33 | nBr | AtomCount (‘Br’) |
2D | number of Br atoms | |
| 34 | nI | AtomCount (‘I’) |
2D | number of I atoms | |
| 35 | nX | AtomCount (‘X’) |
2D | number of halogen atoms | |
| 36 | Autocorrelation |
ATS0dv | ATS (0, ‘dv’) |
2D | moreau-broto autocorrelation of lag 0 weighted by valence electrons |
| 37 | ATS1dv | ATS (1, ‘dv’) |
2D | moreau-broto autocorrelation of lag 1 weighted by valence electrons | |
| 38 | ATS2dv | ATS (2, ‘dv’) |
2D | moreau-broto autocorrelation of lag 2 weighted by valence electrons | |
| 39 | ATS3dv | ATS (3, ‘dv’) |
2D | moreau-broto autocorrelation of lag 3 weighted by valence electrons | |
| 40 | ATS4dv | ATS (4, ‘dv’) |
2D | moreau-broto autocorrelation of lag 4 weighted by valence electrons | |
| 41 | ATS5dv | ATS (5, ‘dv’) |
2D | moreau-broto autocorrelation of lag 5 weighted by valence electrons | |
| 42 | ATS6dv | ATS (6, ‘dv’) |
2D | moreau-broto autocorrelation of lag 6 weighted by valence electrons | |
| 43 | ATS7dv | ATS (7, ‘dv’) |
2D | moreau-broto autocorrelation of lag 7 weighted by valence electrons | |
| 44 | ATS8dv | ATS (8, ‘dv’) |
2D | moreau-broto autocorrelation of lag 8 weighted by valence electrons | |
| 45 | ATS0d | ATS (0, ‘d’) |
2D | moreau-broto autocorrelation of lag 0 weighted by sigma electrons | |
| 46 | ATS1d | ATS (1, ‘d’) |
2D | moreau-broto autocorrelation of lag 1 weighted by sigma electrons | |
| 47 | ATS2d | ATS (2, ‘d’) |
2D | moreau-broto autocorrelation of lag 2 weighted by sigma electrons | |
| 48 | ATS3d | ATS (3, ‘d’) |
2D | moreau-broto autocorrelation of lag 3 weighted by sigma electrons | |
| 49 | ATS4d | ATS (4, ‘d’) |
2D | moreau-broto autocorrelation of lag 4 weighted by sigma electrons | |
| 50 | ATS5d | ATS (5, ‘d’) |
2D | moreau-broto autocorrelation of lag 5 weighted by sigma electrons | |
| 51 | ATS6d | ATS (6, ‘d’) |
2D | moreau-broto autocorrelation of lag 6 weighted by sigma electrons | |
| 52 | ATS7d | ATS (7, ‘d’) |
2D | moreau-broto autocorrelation of lag 7 weighted by sigma electrons | |
| 53 | ATS8d | ATS (8, ‘d’) |
2D | moreau-broto autocorrelation of lag 8 weighted by sigma electrons | |
| 54 | ATS0s | ATS (0, ‘s’) |
2D | moreau-broto autocorrelation of lag 0 weighted by intrinsic state | |
| 55 | ATS1s | ATS (1, ‘s’) |
2D | moreau-broto autocorrelation of lag 1 weighted by intrinsic state | |
| 56 | ATS2s | ATS (2, ‘s’) |
2D | moreau-broto autocorrelation of lag 2 weighted by intrinsic state | |
| 57 | ATS3s | ATS (3, ‘s’) |
2D | moreau-broto autocorrelation of lag 3 weighted by intrinsic state | |
| 58 | ATS4s | ATS (4, ‘s’) |
2D | moreau-broto autocorrelation of lag 4 weighted by intrinsic state | |
| 59 | ATS5s | ATS (5, ‘s’) |
2D | moreau-broto autocorrelation of lag 5 weighted by intrinsic state | |
| 60 | ATS6s | ATS (6, ‘s’) |
2D | moreau-broto autocorrelation of lag 6 weighted by intrinsic state | |
| 61 | ATS7s | ATS (7, ‘s’) |
2D | moreau-broto autocorrelation of lag 7 weighted by intrinsic state | |
| 62 | ATS8s | ATS (8, ‘s’) |
2D | moreau-broto autocorrelation of lag 8 weighted by intrinsic state | |
| 63 | ATS0Z | ATS (0, ‘Z’) |
2D | moreau-broto autocorrelation of lag 0 weighted by atomic number | |
| 64 | ATS1Z | ATS (1, ‘Z’) |
2D | moreau-broto autocorrelation of lag 1 weighted by atomic number | |
| 65 | ATS2Z | ATS (2, ‘Z’) |
2D | moreau-broto autocorrelation of lag 2 weighted by atomic number | |
| 66 | ATS3Z | ATS (3, ‘Z’) |
2D | moreau-broto autocorrelation of lag 3 weighted by atomic number | |
| 67 | ATS4Z | ATS (4, ‘Z’) |
2D | moreau-broto autocorrelation of lag 4 weighted by atomic number | |
| 68 | ATS5Z | ATS (5, ‘Z’) |
2D | moreau-broto autocorrelation of lag 5 weighted by atomic number | |
| 69 | ATS6Z | ATS (6, ‘Z’) |
2D | moreau-broto autocorrelation of lag 6 weighted by atomic number | |
| 70 | ATS7Z | ATS (7, ‘Z’) |
2D | moreau-broto autocorrelation of lag 7 weighted by atomic number | |
| 71 | ATS8Z | ATS (8, ‘Z’) |
2D | moreau-broto autocorrelation of lag 8 weighted by atomic number | |
| 72 | ATS0m | ATS (0, ‘m’) |
2D | moreau-broto autocorrelation of lag 0 weighted by mass | |
| 73 | ATS1m | ATS (1, ‘m’) |
2D | moreau-broto autocorrelation of lag 1 weighted by mass | |
| 74 | ATS2m | ATS (2, ‘m’) |
2D | moreau-broto autocorrelation of lag 2 weighted by mass | |
| 75 | ATS3m | ATS (3, ‘m’) |
2D | moreau-broto autocorrelation of lag 3 weighted by mass | |
| 76 | ATS4m | ATS (4, ‘m’) |
2D | moreau-broto autocorrelation of lag 4 weighted by mass | |
| 77 | ATS5m | ATS (5, ‘m’) |
2D | moreau-broto autocorrelation of lag 5 weighted by mass | |
| 78 | ATS6m | ATS (6, ‘m’) |
2D | moreau-broto autocorrelation of lag 6 weighted by mass | |
| 79 | ATS7m | ATS (7, ‘m’) |
2D | moreau-broto autocorrelation of lag 7 weighted by mass | |
| 80 | ATS8m | ATS (8, ‘m’) |
2D | moreau-broto autocorrelation of lag 8 weighted by mass | |
| 81 | ATS0v | ATS (0, ‘v’) |
2D | moreau-broto autocorrelation of lag 0 weighted by vdw volume | |
| 82 | ATS1v | ATS (1, ‘v’) |
2D | moreau-broto autocorrelation of lag 1 weighted by vdw volume | |
| 83 | ATS2v | ATS (2, ‘v’) |
2D | moreau-broto autocorrelation of lag 2 weighted by vdw volume | |
| 84 | ATS3v | ATS (3, ‘v’) |
2D | moreau-broto autocorrelation of lag 3 weighted by vdw volume | |
| 85 | ATS4v | ATS (4, ‘v’) |
2D | moreau-broto autocorrelation of lag 4 weighted by vdw volume | |
| 86 | ATS5v | ATS (5, ‘v’) |
2D | moreau-broto autocorrelation of lag 5 weighted by vdw volume | |
| 87 | ATS6v | ATS (6, ‘v’) |
2D | moreau-broto autocorrelation of lag 6 weighted by vdw volume | |
| 88 | ATS7v | ATS (7, ‘v’) |
2D | moreau-broto autocorrelation of lag 7 weighted by vdw volume | |
| 89 | ATS8v | ATS (8, ‘v’) |
2D | moreau-broto autocorrelation of lag 8 weighted by vdw volume | |
| 90 | ATS0se | ATS (0, ‘se’) |
2D | moreau-broto autocorrelation of lag 0 weighted by sanderson EN | |
| 91 | ATS1se | ATS (1, ‘se’) |
2D | moreau-broto autocorrelation of lag 1 weighted by sanderson EN | |
| 92 | ATS2se | ATS (2, ‘se’) |
2D | moreau-broto autocorrelation of lag 2 weighted by sanderson EN | |
| 93 | ATS3se | ATS (3, ‘se’) |
2D | moreau-broto autocorrelation of lag 3 weighted by sanderson EN | |
| 94 | ATS4se | ATS (4, ‘se’) |
2D | moreau-broto autocorrelation of lag 4 weighted by sanderson EN | |
| 95 | ATS5se | ATS (5, ‘se’) |
2D | moreau-broto autocorrelation of lag 5 weighted by sanderson EN | |
| 96 | ATS6se | ATS (6, ‘se’) |
2D | moreau-broto autocorrelation of lag 6 weighted by sanderson EN | |
| 97 | ATS7se | ATS (7, ‘se’) |
2D | moreau-broto autocorrelation of lag 7 weighted by sanderson EN | |
| 98 | ATS8se | ATS (8, ‘se’) |
2D | moreau-broto autocorrelation of lag 8 weighted by sanderson EN | |
| 99 | ATS0pe | ATS (0, ‘pe’) |
2D | moreau-broto autocorrelation of lag 0 weighted by pauling EN | |
| 100 | ATS1pe | ATS (1, ‘pe’) |
2D | moreau-broto autocorrelation of lag 1 weighted by pauling EN | |
| 101 | ATS2pe | ATS (2, ‘pe’) |
2D | moreau-broto autocorrelation of lag 2 weighted by pauling EN | |
| 102 | ATS3pe | ATS (3, ‘pe’) |
2D | moreau-broto autocorrelation of lag 3 weighted by pauling EN | |
| 103 | ATS4pe | ATS (4, ‘pe’) |
2D | moreau-broto autocorrelation of lag 4 weighted by pauling EN | |
| 104 | ATS5pe | ATS (5, ‘pe’) |
2D | moreau-broto autocorrelation of lag 5 weighted by pauling EN | |
| 105 | ATS6pe | ATS (6, ‘pe’) |
2D | moreau-broto autocorrelation of lag 6 weighted by pauling EN | |
| 106 | ATS7pe | ATS (7, ‘pe’) |
2D | moreau-broto autocorrelation of lag 7 weighted by pauling EN | |
| 107 | ATS8pe | ATS (8, ‘pe’) |
2D | moreau-broto autocorrelation of lag 8 weighted by pauling EN | |
| 108 | ATS0are | ATS (0, ‘are’) |
2D | moreau-broto autocorrelation of lag 0 weighted by allred-rocow EN | |
| 109 | ATS1are | ATS (1, ‘are’) |
2D | moreau-broto autocorrelation of lag 1 weighted by allred-rocow EN | |
| 110 | ATS2are | ATS (2, ‘are’) |
2D | moreau-broto autocorrelation of lag 2 weighted by allred-rocow EN | |
| 111 | ATS3are | ATS (3, ‘are’) |
2D | moreau-broto autocorrelation of lag 3 weighted by allred-rocow EN | |
| 112 | ATS4are | ATS (4, ‘are’) |
2D | moreau-broto autocorrelation of lag 4 weighted by allred-rocow EN | |
| 113 | ATS5are | ATS (5, ‘are’) |
2D | moreau-broto autocorrelation of lag 5 weighted by allred-rocow EN | |
| 114 | ATS6are | ATS (6, ‘are’) |
2D | moreau-broto autocorrelation of lag 6 weighted by allred-rocow EN | |
| 115 | ATS7are | ATS (7, ‘are’) |
2D | moreau-broto autocorrelation of lag 7 weighted by allred-rocow EN | |
| 116 | ATS8are | ATS (8, ‘are’) |
2D | moreau-broto autocorrelation of lag 8 weighted by allred-rocow EN | |
| 117 | ATS0p | ATS (0, ‘p’) |
2D | moreau-broto autocorrelation of lag 0 weighted by polarizability | |
| 118 | ATS1p | ATS (1, ‘p’) |
2D | moreau-broto autocorrelation of lag 1 weighted by polarizability | |
| 119 | ATS2p | ATS (2, ‘p’) |
2D | moreau-broto autocorrelation of lag 2 weighted by polarizability | |
| 120 | ATS3p | ATS (3, ‘p’) |
2D | moreau-broto autocorrelation of lag 3 weighted by polarizability | |
| 121 | ATS4p | ATS (4, ‘p’) |
2D | moreau-broto autocorrelation of lag 4 weighted by polarizability | |
| 122 | ATS5p | ATS (5, ‘p’) |
2D | moreau-broto autocorrelation of lag 5 weighted by polarizability | |
| 123 | ATS6p | ATS (6, ‘p’) |
2D | moreau-broto autocorrelation of lag 6 weighted by polarizability | |
| 124 | ATS7p | ATS (7, ‘p’) |
2D | moreau-broto autocorrelation of lag 7 weighted by polarizability | |
| 125 | ATS8p | ATS (8, ‘p’) |
2D | moreau-broto autocorrelation of lag 8 weighted by polarizability | |
| 126 | ATS0i | ATS (0, ‘i’) |
2D | moreau-broto autocorrelation of lag 0 weighted by ionization potential | |
| 127 | ATS1i | ATS (1, ‘i’) |
2D | moreau-broto autocorrelation of lag 1 weighted by ionization potential | |
| 128 | ATS2i | ATS (2, ‘i’) |
2D | moreau-broto autocorrelation of lag 2 weighted by ionization potential | |
| 129 | ATS3i | ATS (3, ‘i’) |
2D | moreau-broto autocorrelation of lag 3 weighted by ionization potential | |
| 130 | ATS4i | ATS (4, ‘i’) |
2D | moreau-broto autocorrelation of lag 4 weighted by ionization potential | |
| 131 | ATS5i | ATS (5, ‘i’) |
2D | moreau-broto autocorrelation of lag 5 weighted by ionization potential | |
| 132 | ATS6i | ATS (6, ‘i’) |
2D | moreau-broto autocorrelation of lag 6 weighted by ionization potential | |
| 133 | ATS7i | ATS (7, ‘i’) |
2D | moreau-broto autocorrelation of lag 7 weighted by ionization potential | |
| 134 | ATS8i | ATS (8, ‘i’) |
2D | moreau-broto autocorrelation of lag 8 weighted by ionization potential | |
| 135 | AATS0dv | AATS (0, ‘dv’) |
2D | averaged moreau-broto autocorrelation of lag 0 weighted by valence electrons | |
| 136 | AATS1dv | AATS (1, ‘dv’) |
2D | averaged moreau-broto autocorrelation of lag 1 weighted by valence electrons | |
| 137 | AATS2dv | AATS (2, ‘dv’) |
2D | averaged moreau-broto autocorrelation of lag 2 weighted by valence electrons | |
| 138 | AATS3dv | AATS (3, ‘dv’) |
2D | averaged moreau-broto autocorrelation of lag 3 weighted by valence electrons | |
| 139 | AATS4dv | AATS (4, ‘dv’) |
2D | averaged moreau-broto autocorrelation of lag 4 weighted by valence electrons | |
| 140 | AATS5dv | AATS (5, ‘dv’) |
2D | averaged moreau-broto autocorrelation of lag 5 weighted by valence electrons | |
| 141 | AATS6dv | AATS (6, ‘dv’) |
2D | averaged moreau-broto autocorrelation of lag 6 weighted by valence electrons | |
| 142 | AATS7dv | AATS (7, ‘dv’) |
2D | averaged moreau-broto autocorrelation of lag 7 weighted by valence electrons | |
| 143 | AATS8dv | AATS (8, ‘dv’) |
2D | averaged moreau-broto autocorrelation of lag 8 weighted by valence electrons | |
| 144 | AATS0d | AATS (0, ‘d’) |
2D | averaged moreau-broto autocorrelation of lag 0 weighted by sigma electrons | |
| 145 | AATS1d | AATS (1, ‘d’) |
2D | averaged moreau-broto autocorrelation of lag 1 weighted by sigma electrons | |
| 146 | AATS2d | AATS (2, ‘d’) |
2D | averaged moreau-broto autocorrelation of lag 2 weighted by sigma electrons | |
| 147 | AATS3d | AATS (3, ‘d’) |
2D | averaged moreau-broto autocorrelation of lag 3 weighted by sigma electrons | |
| 148 | AATS4d | AATS (4, ‘d’) |
2D | averaged moreau-broto autocorrelation of lag 4 weighted by sigma electrons | |
| 149 | AATS5d | AATS (5, ‘d’) |
2D | averaged moreau-broto autocorrelation of lag 5 weighted by sigma electrons | |
| 150 | AATS6d | AATS (6, ‘d’) |
2D | averaged moreau-broto autocorrelation of lag 6 weighted by sigma electrons | |
| 151 | AATS7d | AATS (7, ‘d’) |
2D | averaged moreau-broto autocorrelation of lag 7 weighted by sigma electrons | |
| 152 | AATS8d | AATS (8, ‘d’) |
2D | averaged moreau-broto autocorrelation of lag 8 weighted by sigma electrons | |
| 153 | AATS0s | AATS (0, ‘s’) |
2D | averaged moreau-broto autocorrelation of lag 0 weighted by intrinsic state | |
| 154 | AATS1s | AATS (1, ‘s’) |
2D | averaged moreau-broto autocorrelation of lag 1 weighted by intrinsic state | |
| 155 | AATS2s | AATS (2, ‘s’) |
2D | averaged moreau-broto autocorrelation of lag 2 weighted by intrinsic state | |
| 156 | AATS3s | AATS (3, ‘s’) |
2D | averaged moreau-broto autocorrelation of lag 3 weighted by intrinsic state | |
| 157 | AATS4s | AATS (4, ‘s’) |
2D | averaged moreau-broto autocorrelation of lag 4 weighted by intrinsic state | |
| 158 | AATS5s | AATS (5, ‘s’) |
2D | averaged moreau-broto autocorrelation of lag 5 weighted by intrinsic state | |
| 159 | AATS6s | AATS (6, ‘s’) |
2D | averaged moreau-broto autocorrelation of lag 6 weighted by intrinsic state | |
| 160 | AATS7s | AATS (7, ‘s’) |
2D | averaged moreau-broto autocorrelation of lag 7 weighted by intrinsic state | |
| 161 | AATS8s | AATS (8, ‘s’) |
2D | averaged moreau-broto autocorrelation of lag 8 weighted by intrinsic state | |
| 162 | AATS0Z | AATS (0, ‘Z’) |
2D | averaged moreau-broto autocorrelation of lag 0 weighted by atomic number | |
| 163 | AATS1Z | AATS (1, ‘Z’) |
2D | averaged moreau-broto autocorrelation of lag 1 weighted by atomic number | |
| 164 | AATS2Z | AATS (2, ‘Z’) |
2D | averaged moreau-broto autocorrelation of lag 2 weighted by atomic number | |
| 165 | AATS3Z | AATS (3, ‘Z’) |
2D | averaged moreau-broto autocorrelation of lag 3 weighted by atomic number | |
| 166 | AATS4Z | AATS (4, ‘Z’) |
2D | averaged moreau-broto autocorrelation of lag 4 weighted by atomic number | |
| 167 | AATS5Z | AATS (5, ‘Z’) |
2D | averaged moreau-broto autocorrelation of lag 5 weighted by atomic number | |
| 168 | AATS6Z | AATS (6, ‘Z’) |
2D | averaged moreau-broto autocorrelation of lag 6 weighted by atomic number | |
| 169 | AATS7Z | AATS (7, ‘Z’) |
2D | averaged moreau-broto autocorrelation of lag 7 weighted by atomic number | |
| 170 | AATS8Z | AATS (8, ‘Z’) |
2D | averaged moreau-broto autocorrelation of lag 8 weighted by atomic number | |
| 171 | AATS0m | AATS (0, ‘m’) |
2D | averaged moreau-broto autocorrelation of lag 0 weighted by mass | |
| 172 | AATS1m | AATS (1, ‘m’) |
2D | averaged moreau-broto autocorrelation of lag 1 weighted by mass | |
| 173 | AATS2m | AATS (2, ‘m’) |
2D | averaged moreau-broto autocorrelation of lag 2 weighted by mass | |
| 174 | AATS3m | AATS (3, ‘m’) |
2D | averaged moreau-broto autocorrelation of lag 3 weighted by mass | |
| 175 | AATS4m | AATS (4, ‘m’) |
2D | averaged moreau-broto autocorrelation of lag 4 weighted by mass | |
| 176 | AATS5m | AATS (5, ‘m’) |
2D | averaged moreau-broto autocorrelation of lag 5 weighted by mass | |
| 177 | AATS6m | AATS (6, ‘m’) |
2D | averaged moreau-broto autocorrelation of lag 6 weighted by mass | |
| 178 | AATS7m | AATS (7, ‘m’) |
2D | averaged moreau-broto autocorrelation of lag 7 weighted by mass | |
| 179 | AATS8m | AATS (8, ‘m’) |
2D | averaged moreau-broto autocorrelation of lag 8 weighted by mass | |
| 180 | AATS0v | AATS (0, ‘v’) |
2D | averaged moreau-broto autocorrelation of lag 0 weighted by vdw volume | |
| 181 | AATS1v | AATS (1, ‘v’) |
2D | averaged moreau-broto autocorrelation of lag 1 weighted by vdw volume | |
| 182 | AATS2v | AATS (2, ‘v’) |
2D | averaged moreau-broto autocorrelation of lag 2 weighted by vdw volume | |
| 183 | AATS3v | AATS (3, ‘v’) |
2D | averaged moreau-broto autocorrelation of lag 3 weighted by vdw volume | |
| 184 | AATS4v | AATS (4, ‘v’) |
2D | averaged moreau-broto autocorrelation of lag 4 weighted by vdw volume | |
| 185 | AATS5v | AATS (5, ‘v’) |
2D | averaged moreau-broto autocorrelation of lag 5 weighted by vdw volume | |
| 186 | AATS6v | AATS (6, ‘v’) |
2D | averaged moreau-broto autocorrelation of lag 6 weighted by vdw volume | |
| 187 | AATS7v | AATS (7, ‘v’) |
2D | averaged moreau-broto autocorrelation of lag 7 weighted by vdw volume | |
| 188 | AATS8v | AATS (8, ‘v’) |
2D | averaged moreau-broto autocorrelation of lag 8 weighted by vdw volume | |
| 189 | AATS0se | AATS (0, ‘se’) |
2D | averaged moreau-broto autocorrelation of lag 0 weighted by sanderson EN | |
| 190 | AATS1se | AATS (1, ‘se’) |
2D | averaged moreau-broto autocorrelation of lag 1 weighted by sanderson EN | |
| 191 | AATS2se | AATS (2, ‘se’) |
2D | averaged moreau-broto autocorrelation of lag 2 weighted by sanderson EN | |
| 192 | AATS3se | AATS (3, ‘se’) |
2D | averaged moreau-broto autocorrelation of lag 3 weighted by sanderson EN | |
| 193 | AATS4se | AATS (4, ‘se’) |
2D | averaged moreau-broto autocorrelation of lag 4 weighted by sanderson EN | |
| 194 | AATS5se | AATS (5, ‘se’) |
2D | averaged moreau-broto autocorrelation of lag 5 weighted by sanderson EN | |
| 195 | AATS6se | AATS (6, ‘se’) |
2D | averaged moreau-broto autocorrelation of lag 6 weighted by sanderson EN | |
| 196 | AATS7se | AATS (7, ‘se’) |
2D | averaged moreau-broto autocorrelation of lag 7 weighted by sanderson EN | |
| 197 | AATS8se | AATS (8, ‘se’) |
2D | averaged moreau-broto autocorrelation of lag 8 weighted by sanderson EN | |
| 198 | AATS0pe | AATS (0, ‘pe’) |
2D | averaged moreau-broto autocorrelation of lag 0 weighted by pauling EN | |
| 199 | AATS1pe | AATS (1, ‘pe’) |
2D | averaged moreau-broto autocorrelation of lag 1 weighted by pauling EN | |
| 200 | AATS2pe | AATS (2, ‘pe’) |
2D | averaged moreau-broto autocorrelation of lag 2 weighted by pauling EN | |
| 201 | AATS3pe | AATS (3, ‘pe’) |
2D | averaged moreau-broto autocorrelation of lag 3 weighted by pauling EN | |
| 202 | AATS4pe | AATS (4, ‘pe’) |
2D | averaged moreau-broto autocorrelation of lag 4 weighted by pauling EN | |
| 203 | AATS5pe | AATS (5, ‘pe’) |
2D | averaged moreau-broto autocorrelation of lag 5 weighted by pauling EN | |
| 204 | AATS6pe | AATS (6, ‘pe’) |
2D | averaged moreau-broto autocorrelation of lag 6 weighted by pauling EN | |
| 205 | AATS7pe | AATS (7, ‘pe’) |
2D | averaged moreau-broto autocorrelation of lag 7 weighted by pauling EN | |
| 206 | AATS8pe | AATS (8, ‘pe’) |
2D | averaged moreau-broto autocorrelation of lag 8 weighted by pauling EN | |
| 207 | AATS0are | AATS (0, ‘are’) |
2D | averaged moreau-broto autocorrelation of lag 0 weighted by allred-rocow EN | |
| 208 | AATS1are | AATS (1, ‘are’) |
2D | averaged moreau-broto autocorrelation of lag 1 weighted by allred-rocow EN | |
| 209 | AATS2are | AATS (2, ‘are’) |
2D | averaged moreau-broto autocorrelation of lag 2 weighted by allred-rocow EN | |
| 210 | AATS3are | AATS (3, ‘are’) |
2D | averaged moreau-broto autocorrelation of lag 3 weighted by allred-rocow EN | |
| 211 | AATS4are | AATS (4, ‘are’) |
2D | averaged moreau-broto autocorrelation of lag 4 weighted by allred-rocow EN | |
| 212 | AATS5are | AATS (5, ‘are’) |
2D | averaged moreau-broto autocorrelation of lag 5 weighted by allred-rocow EN | |
| 213 | AATS6are | AATS (6, ‘are’) |
2D | averaged moreau-broto autocorrelation of lag 6 weighted by allred-rocow EN | |
| 214 | AATS7are | AATS (7, ‘are’) |
2D | averaged moreau-broto autocorrelation of lag 7 weighted by allred-rocow EN | |
| 215 | AATS8are | AATS (8, ‘are’) |
2D | averaged moreau-broto autocorrelation of lag 8 weighted by allred-rocow EN | |
| 216 | AATS0p | AATS (0, ‘p’) |
2D | averaged moreau-broto autocorrelation of lag 0 weighted by polarizability | |
| 217 | AATS1p | AATS (1, ‘p’) |
2D | averaged moreau-broto autocorrelation of lag 1 weighted by polarizability | |
| 218 | AATS2p | AATS (2, ‘p’) |
2D | averaged moreau-broto autocorrelation of lag 2 weighted by polarizability | |
| 219 | AATS3p | AATS (3, ‘p’) |
2D | averaged moreau-broto autocorrelation of lag 3 weighted by polarizability | |
| 220 | AATS4p | AATS (4, ‘p’) |
2D | averaged moreau-broto autocorrelation of lag 4 weighted by polarizability | |
| 221 | AATS5p | AATS (5, ‘p’) |
2D | averaged moreau-broto autocorrelation of lag 5 weighted by polarizability | |
| 222 | AATS6p | AATS (6, ‘p’) |
2D | averaged moreau-broto autocorrelation of lag 6 weighted by polarizability | |
| 223 | AATS7p | AATS (7, ‘p’) |
2D | averaged moreau-broto autocorrelation of lag 7 weighted by polarizability | |
| 224 | AATS8p | AATS (8, ‘p’) |
2D | averaged moreau-broto autocorrelation of lag 8 weighted by polarizability | |
| 225 | AATS0i | AATS (0, ‘i’) |
2D | averaged moreau-broto autocorrelation of lag 0 weighted by ionization potential | |
| 226 | AATS1i | AATS (1, ‘i’) |
2D | averaged moreau-broto autocorrelation of lag 1 weighted by ionization potential | |
| 227 | AATS2i | AATS (2, ‘i’) |
2D | averaged moreau-broto autocorrelation of lag 2 weighted by ionization potential | |
| 228 | AATS3i | AATS (3, ‘i’) |
2D | averaged moreau-broto autocorrelation of lag 3 weighted by ionization potential | |
| 229 | AATS4i | AATS (4, ‘i’) |
2D | averaged moreau-broto autocorrelation of lag 4 weighted by ionization potential | |
| 230 | AATS5i | AATS (5, ‘i’) |
2D | averaged moreau-broto autocorrelation of lag 5 weighted by ionization potential | |
| 231 | AATS6i | AATS (6, ‘i’) |
2D | averaged moreau-broto autocorrelation of lag 6 weighted by ionization potential | |
| 232 | AATS7i | AATS (7, ‘i’) |
2D | averaged moreau-broto autocorrelation of lag 7 weighted by ionization potential | |
| 233 | AATS8i | AATS (8, ‘i’) |
2D | averaged moreau-broto autocorrelation of lag 8 weighted by ionization potential | |
| 234 | ATSC0c | ATSC (0, ‘c’) |
2D | centered moreau-broto autocorrelation of lag 0 weighted by gasteiger charge | |
| 235 | ATSC1c | ATSC (1, ‘c’) |
2D | centered moreau-broto autocorrelation of lag 1 weighted by gasteiger charge | |
| 236 | ATSC2c | ATSC (2, ‘c’) |
2D | centered moreau-broto autocorrelation of lag 2 weighted by gasteiger charge | |
| 237 | ATSC3c | ATSC (3, ‘c’) |
2D | centered moreau-broto autocorrelation of lag 3 weighted by gasteiger charge | |
| 238 | ATSC4c | ATSC (4, ‘c’) |
2D | centered moreau-broto autocorrelation of lag 4 weighted by gasteiger charge | |
| 239 | ATSC5c | ATSC (5, ‘c’) |
2D | centered moreau-broto autocorrelation of lag 5 weighted by gasteiger charge | |
| 240 | ATSC6c | ATSC (6, ‘c’) |
2D | centered moreau-broto autocorrelation of lag 6 weighted by gasteiger charge | |
| 241 | ATSC7c | ATSC (7, ‘c’) |
2D | centered moreau-broto autocorrelation of lag 7 weighted by gasteiger charge | |
| 242 | ATSC8c | ATSC (8, ‘c’) |
2D | centered moreau-broto autocorrelation of lag 8 weighted by gasteiger charge | |
| 243 | ATSC0dv | ATSC (0, ‘dv’) |
2D | centered moreau-broto autocorrelation of lag 0 weighted by valence electrons | |
| 244 | ATSC1dv | ATSC (1, ‘dv’) |
2D | centered moreau-broto autocorrelation of lag 1 weighted by valence electrons | |
| 245 | ATSC2dv | ATSC (2, ‘dv’) |
2D | centered moreau-broto autocorrelation of lag 2 weighted by valence electrons | |
| 246 | ATSC3dv | ATSC (3, ‘dv’) |
2D | centered moreau-broto autocorrelation of lag 3 weighted by valence electrons | |
| 247 | ATSC4dv | ATSC (4, ‘dv’) |
2D | centered moreau-broto autocorrelation of lag 4 weighted by valence electrons | |
| 248 | ATSC5dv | ATSC (5, ‘dv’) |
2D | centered moreau-broto autocorrelation of lag 5 weighted by valence electrons | |
| 249 | ATSC6dv | ATSC (6, ‘dv’) |
2D | centered moreau-broto autocorrelation of lag 6 weighted by valence electrons | |
| 250 | ATSC7dv | ATSC (7, ‘dv’) |
2D | centered moreau-broto autocorrelation of lag 7 weighted by valence electrons | |
| 251 | ATSC8dv | ATSC (8, ‘dv’) |
2D | centered moreau-broto autocorrelation of lag 8 weighted by valence electrons | |
| 252 | ATSC0d | ATSC (0, ‘d’) |
2D | centered moreau-broto autocorrelation of lag 0 weighted by sigma electrons | |
| 253 | ATSC1d | ATSC (1, ‘d’) |
2D | centered moreau-broto autocorrelation of lag 1 weighted by sigma electrons | |
| 254 | ATSC2d | ATSC (2, ‘d’) |
2D | centered moreau-broto autocorrelation of lag 2 weighted by sigma electrons | |
| 255 | ATSC3d | ATSC (3, ‘d’) |
2D | centered moreau-broto autocorrelation of lag 3 weighted by sigma electrons | |
| 256 | ATSC4d | ATSC (4, ‘d’) |
2D | centered moreau-broto autocorrelation of lag 4 weighted by sigma electrons | |
| 257 | ATSC5d | ATSC (5, ‘d’) |
2D | centered moreau-broto autocorrelation of lag 5 weighted by sigma electrons | |
| 258 | ATSC6d | ATSC (6, ‘d’) |
2D | centered moreau-broto autocorrelation of lag 6 weighted by sigma electrons | |
| 259 | ATSC7d | ATSC (7, ‘d’) |
2D | centered moreau-broto autocorrelation of lag 7 weighted by sigma electrons | |
| 260 | ATSC8d | ATSC (8, ‘d’) |
2D | centered moreau-broto autocorrelation of lag 8 weighted by sigma electrons | |
| 261 | ATSC0s | ATSC (0, ‘s’) |
2D | centered moreau-broto autocorrelation of lag 0 weighted by intrinsic state | |
| 262 | ATSC1s | ATSC (1, ‘s’) |
2D | centered moreau-broto autocorrelation of lag 1 weighted by intrinsic state | |
| 263 | ATSC2s | ATSC (2, ‘s’) |
2D | centered moreau-broto autocorrelation of lag 2 weighted by intrinsic state | |
| 264 | ATSC3s | ATSC (3, ‘s’) |
2D | centered moreau-broto autocorrelation of lag 3 weighted by intrinsic state | |
| 265 | ATSC4s | ATSC (4, ‘s’) |
2D | centered moreau-broto autocorrelation of lag 4 weighted by intrinsic state | |
| 266 | ATSC5s | ATSC (5, ‘s’) |
2D | centered moreau-broto autocorrelation of lag 5 weighted by intrinsic state | |
| 267 | ATSC6s | ATSC (6, ‘s’) |
2D | centered moreau-broto autocorrelation of lag 6 weighted by intrinsic state | |
| 268 | ATSC7s | ATSC (7, ‘s’) |
2D | centered moreau-broto autocorrelation of lag 7 weighted by intrinsic state | |
| 269 | ATSC8s | ATSC (8, ‘s’) |
2D | centered moreau-broto autocorrelation of lag 8 weighted by intrinsic state | |
| 270 | ATSC0Z | ATSC (0, ‘Z’) |
2D | centered moreau-broto autocorrelation of lag 0 weighted by atomic number | |
| 271 | ATSC1Z | ATSC (1, ‘Z’) |
2D | centered moreau-broto autocorrelation of lag 1 weighted by atomic number | |
| 272 | ATSC2Z | ATSC (2, ‘Z’) |
2D | centered moreau-broto autocorrelation of lag 2 weighted by atomic number | |
| 273 | ATSC3Z | ATSC (3, ‘Z’) |
2D | centered moreau-broto autocorrelation of lag 3 weighted by atomic number | |
| 274 | ATSC4Z | ATSC (4, ‘Z’) |
2D | centered moreau-broto autocorrelation of lag 4 weighted by atomic number | |
| 275 | ATSC5Z | ATSC (5, ‘Z’) |
2D | centered moreau-broto autocorrelation of lag 5 weighted by atomic number | |
| 276 | ATSC6Z | ATSC (6, ‘Z’) |
2D | centered moreau-broto autocorrelation of lag 6 weighted by atomic number | |
| 277 | ATSC7Z | ATSC (7, ‘Z’) |
2D | centered moreau-broto autocorrelation of lag 7 weighted by atomic number | |
| 278 | ATSC8Z | ATSC (8, ‘Z’) |
2D | centered moreau-broto autocorrelation of lag 8 weighted by atomic number | |
| 279 | ATSC0m | ATSC (0, ‘m’) |
2D | centered moreau-broto autocorrelation of lag 0 weighted by mass | |
| 280 | ATSC1m | ATSC (1, ‘m’) |
2D | centered moreau-broto autocorrelation of lag 1 weighted by mass | |
| 281 | ATSC2m | ATSC (2, ‘m’) |
2D | centered moreau-broto autocorrelation of lag 2 weighted by mass | |
| 282 | ATSC3m | ATSC (3, ‘m’) |
2D | centered moreau-broto autocorrelation of lag 3 weighted by mass | |
| 283 | ATSC4m | ATSC (4, ‘m’) |
2D | centered moreau-broto autocorrelation of lag 4 weighted by mass | |
| 284 | ATSC5m | ATSC (5, ‘m’) |
2D | centered moreau-broto autocorrelation of lag 5 weighted by mass | |
| 285 | ATSC6m | ATSC (6, ‘m’) |
2D | centered moreau-broto autocorrelation of lag 6 weighted by mass | |
| 286 | ATSC7m | ATSC (7, ‘m’) |
2D | centered moreau-broto autocorrelation of lag 7 weighted by mass | |
| 287 | ATSC8m | ATSC (8, ‘m’) |
2D | centered moreau-broto autocorrelation of lag 8 weighted by mass | |
| 288 | ATSC0v | ATSC (0, ‘v’) |
2D | centered moreau-broto autocorrelation of lag 0 weighted by vdw volume | |
| 289 | ATSC1v | ATSC (1, ‘v’) |
2D | centered moreau-broto autocorrelation of lag 1 weighted by vdw volume | |
| 290 | ATSC2v | ATSC (2, ‘v’) |
2D | centered moreau-broto autocorrelation of lag 2 weighted by vdw volume | |
| 291 | ATSC3v | ATSC (3, ‘v’) |
2D | centered moreau-broto autocorrelation of lag 3 weighted by vdw volume | |
| 292 | ATSC4v | ATSC (4, ‘v’) |
2D | centered moreau-broto autocorrelation of lag 4 weighted by vdw volume | |
| 293 | ATSC5v | ATSC (5, ‘v’) |
2D | centered moreau-broto autocorrelation of lag 5 weighted by vdw volume | |
| 294 | ATSC6v | ATSC (6, ‘v’) |
2D | centered moreau-broto autocorrelation of lag 6 weighted by vdw volume | |
| 295 | ATSC7v | ATSC (7, ‘v’) |
2D | centered moreau-broto autocorrelation of lag 7 weighted by vdw volume | |
| 296 | ATSC8v | ATSC (8, ‘v’) |
2D | centered moreau-broto autocorrelation of lag 8 weighted by vdw volume | |
| 297 | ATSC0se | ATSC (0, ‘se’) |
2D | centered moreau-broto autocorrelation of lag 0 weighted by sanderson EN | |
| 298 | ATSC1se | ATSC (1, ‘se’) |
2D | centered moreau-broto autocorrelation of lag 1 weighted by sanderson EN | |
| 299 | ATSC2se | ATSC (2, ‘se’) |
2D | centered moreau-broto autocorrelation of lag 2 weighted by sanderson EN | |
| 300 | ATSC3se | ATSC (3, ‘se’) |
2D | centered moreau-broto autocorrelation of lag 3 weighted by sanderson EN | |
| 301 | ATSC4se | ATSC (4, ‘se’) |
2D | centered moreau-broto autocorrelation of lag 4 weighted by sanderson EN | |
| 302 | ATSC5se | ATSC (5, ‘se’) |
2D | centered moreau-broto autocorrelation of lag 5 weighted by sanderson EN | |
| 303 | ATSC6se | ATSC (6, ‘se’) |
2D | centered moreau-broto autocorrelation of lag 6 weighted by sanderson EN | |
| 304 | ATSC7se | ATSC (7, ‘se’) |
2D | centered moreau-broto autocorrelation of lag 7 weighted by sanderson EN | |
| 305 | ATSC8se | ATSC (8, ‘se’) |
2D | centered moreau-broto autocorrelation of lag 8 weighted by sanderson EN | |
| 306 | ATSC0pe | ATSC (0, ‘pe’) |
2D | centered moreau-broto autocorrelation of lag 0 weighted by pauling EN | |
| 307 | ATSC1pe | ATSC (1, ‘pe’) |
2D | centered moreau-broto autocorrelation of lag 1 weighted by pauling EN | |
| 308 | ATSC2pe | ATSC (2, ‘pe’) |
2D | centered moreau-broto autocorrelation of lag 2 weighted by pauling EN | |
| 309 | ATSC3pe | ATSC (3, ‘pe’) |
2D | centered moreau-broto autocorrelation of lag 3 weighted by pauling EN | |
| 310 | ATSC4pe | ATSC (4, ‘pe’) |
2D | centered moreau-broto autocorrelation of lag 4 weighted by pauling EN | |
| 311 | ATSC5pe | ATSC (5, ‘pe’) |
2D | centered moreau-broto autocorrelation of lag 5 weighted by pauling EN | |
| 312 | ATSC6pe | ATSC (6, ‘pe’) |
2D | centered moreau-broto autocorrelation of lag 6 weighted by pauling EN | |
| 313 | ATSC7pe | ATSC (7, ‘pe’) |
2D | centered moreau-broto autocorrelation of lag 7 weighted by pauling EN | |
| 314 | ATSC8pe | ATSC (8, ‘pe’) |
2D | centered moreau-broto autocorrelation of lag 8 weighted by pauling EN | |
| 315 | ATSC0are | ATSC (0, ‘are’) |
2D | centered moreau-broto autocorrelation of lag 0 weighted by allred-rocow EN | |
| 316 | ATSC1are | ATSC (1, ‘are’) |
2D | centered moreau-broto autocorrelation of lag 1 weighted by allred-rocow EN | |
| 317 | ATSC2are | ATSC (2, ‘are’) |
2D | centered moreau-broto autocorrelation of lag 2 weighted by allred-rocow EN | |
| 318 | ATSC3are | ATSC (3, ‘are’) |
2D | centered moreau-broto autocorrelation of lag 3 weighted by allred-rocow EN | |
| 319 | ATSC4are | ATSC (4, ‘are’) |
2D | centered moreau-broto autocorrelation of lag 4 weighted by allred-rocow EN | |
| 320 | ATSC5are | ATSC (5, ‘are’) |
2D | centered moreau-broto autocorrelation of lag 5 weighted by allred-rocow EN | |
| 321 | ATSC6are | ATSC (6, ‘are’) |
2D | centered moreau-broto autocorrelation of lag 6 weighted by allred-rocow EN | |
| 322 | ATSC7are | ATSC (7, ‘are’) |
2D | centered moreau-broto autocorrelation of lag 7 weighted by allred-rocow EN | |
| 323 | ATSC8are | ATSC (8, ‘are’) |
2D | centered moreau-broto autocorrelation of lag 8 weighted by allred-rocow EN | |
| 324 | ATSC0p | ATSC (0, ‘p’) |
2D | centered moreau-broto autocorrelation of lag 0 weighted by polarizability | |
| 325 | ATSC1p | ATSC (1, ‘p’) |
2D | centered moreau-broto autocorrelation of lag 1 weighted by polarizability | |
| 326 | ATSC2p | ATSC (2, ‘p’) |
2D | centered moreau-broto autocorrelation of lag 2 weighted by polarizability | |
| 327 | ATSC3p | ATSC (3, ‘p’) |
2D | centered moreau-broto autocorrelation of lag 3 weighted by polarizability | |
| 328 | ATSC4p | ATSC (4, ‘p’) |
2D | centered moreau-broto autocorrelation of lag 4 weighted by polarizability | |
| 329 | ATSC5p | ATSC (5, ‘p’) |
2D | centered moreau-broto autocorrelation of lag 5 weighted by polarizability | |
| 330 | ATSC6p | ATSC (6, ‘p’) |
2D | centered moreau-broto autocorrelation of lag 6 weighted by polarizability | |
| 331 | ATSC7p | ATSC (7, ‘p’) |
2D | centered moreau-broto autocorrelation of lag 7 weighted by polarizability | |
| 332 | ATSC8p | ATSC (8, ‘p’) |
2D | centered moreau-broto autocorrelation of lag 8 weighted by polarizability | |
| 333 | ATSC0i | ATSC (0, ‘i’) |
2D | centered moreau-broto autocorrelation of lag 0 weighted by ionization potential | |
| 334 | ATSC1i | ATSC (1, ‘i’) |
2D | centered moreau-broto autocorrelation of lag 1 weighted by ionization potential | |
| 335 | ATSC2i | ATSC (2, ‘i’) |
2D | centered moreau-broto autocorrelation of lag 2 weighted by ionization potential | |
| 336 | ATSC3i | ATSC (3, ‘i’) |
2D | centered moreau-broto autocorrelation of lag 3 weighted by ionization potential | |
| 337 | ATSC4i | ATSC (4, ‘i’) |
2D | centered moreau-broto autocorrelation of lag 4 weighted by ionization potential | |
| 338 | ATSC5i | ATSC (5, ‘i’) |
2D | centered moreau-broto autocorrelation of lag 5 weighted by ionization potential | |
| 339 | ATSC6i | ATSC (6, ‘i’) |
2D | centered moreau-broto autocorrelation of lag 6 weighted by ionization potential | |
| 340 | ATSC7i | ATSC (7, ‘i’) |
2D | centered moreau-broto autocorrelation of lag 7 weighted by ionization potential | |
| 341 | ATSC8i | ATSC (8, ‘i’) |
2D | centered moreau-broto autocorrelation of lag 8 weighted by ionization potential | |
| 342 | AATSC0c | AATSC (0, ‘c’) |
2D | averaged and centered moreau-broto autocorrelation of lag 0 weighted by gasteiger charge | |
| 343 | AATSC1c | AATSC (1, ‘c’) |
2D | averaged and centered moreau-broto autocorrelation of lag 1 weighted by gasteiger charge | |
| 344 | AATSC2c | AATSC (2, ‘c’) |
2D | averaged and centered moreau-broto autocorrelation of lag 2 weighted by gasteiger charge | |
| 345 | AATSC3c | AATSC (3, ‘c’) |
2D | averaged and centered moreau-broto autocorrelation of lag 3 weighted by gasteiger charge | |
| 346 | AATSC4c | AATSC (4, ‘c’) |
2D | averaged and centered moreau-broto autocorrelation of lag 4 weighted by gasteiger charge | |
| 347 | AATSC5c | AATSC (5, ‘c’) |
2D | averaged and centered moreau-broto autocorrelation of lag 5 weighted by gasteiger charge | |
| 348 | AATSC6c | AATSC (6, ‘c’) |
2D | averaged and centered moreau-broto autocorrelation of lag 6 weighted by gasteiger charge | |
| 349 | AATSC7c | AATSC (7, ‘c’) |
2D | averaged and centered moreau-broto autocorrelation of lag 7 weighted by gasteiger charge | |
| 350 | AATSC8c | AATSC (8, ‘c’) |
2D | averaged and centered moreau-broto autocorrelation of lag 8 weighted by gasteiger charge | |
| 351 | AATSC0dv | AATSC (0, ‘dv’) |
2D | averaged and centered moreau-broto autocorrelation of lag 0 weighted by valence electrons | |
| 352 | AATSC1dv | AATSC (1, ‘dv’) |
2D | averaged and centered moreau-broto autocorrelation of lag 1 weighted by valence electrons | |
| 353 | AATSC2dv | AATSC (2, ‘dv’) |
2D | averaged and centered moreau-broto autocorrelation of lag 2 weighted by valence electrons | |
| 354 | AATSC3dv | AATSC (3, ‘dv’) |
2D | averaged and centered moreau-broto autocorrelation of lag 3 weighted by valence electrons | |
| 355 | AATSC4dv | AATSC (4, ‘dv’) |
2D | averaged and centered moreau-broto autocorrelation of lag 4 weighted by valence electrons | |
| 356 | AATSC5dv | AATSC (5, ‘dv’) |
2D | averaged and centered moreau-broto autocorrelation of lag 5 weighted by valence electrons | |
| 357 | AATSC6dv | AATSC (6, ‘dv’) |
2D | averaged and centered moreau-broto autocorrelation of lag 6 weighted by valence electrons | |
| 358 | AATSC7dv | AATSC (7, ‘dv’) |
2D | averaged and centered moreau-broto autocorrelation of lag 7 weighted by valence electrons | |
| 359 | AATSC8dv | AATSC (8, ‘dv’) |
2D | averaged and centered moreau-broto autocorrelation of lag 8 weighted by valence electrons | |
| 360 | AATSC0d | AATSC (0, ‘d’) |
2D | averaged and centered moreau-broto autocorrelation of lag 0 weighted by sigma electrons | |
| 361 | AATSC1d | AATSC (1, ‘d’) |
2D | averaged and centered moreau-broto autocorrelation of lag 1 weighted by sigma electrons | |
| 362 | AATSC2d | AATSC (2, ‘d’) |
2D | averaged and centered moreau-broto autocorrelation of lag 2 weighted by sigma electrons | |
| 363 | AATSC3d | AATSC (3, ‘d’) |
2D | averaged and centered moreau-broto autocorrelation of lag 3 weighted by sigma electrons | |
| 364 | AATSC4d | AATSC (4, ‘d’) |
2D | averaged and centered moreau-broto autocorrelation of lag 4 weighted by sigma electrons | |
| 365 | AATSC5d | AATSC (5, ‘d’) |
2D | averaged and centered moreau-broto autocorrelation of lag 5 weighted by sigma electrons | |
| 366 | AATSC6d | AATSC (6, ‘d’) |
2D | averaged and centered moreau-broto autocorrelation of lag 6 weighted by sigma electrons | |
| 367 | AATSC7d | AATSC (7, ‘d’) |
2D | averaged and centered moreau-broto autocorrelation of lag 7 weighted by sigma electrons | |
| 368 | AATSC8d | AATSC (8, ‘d’) |
2D | averaged and centered moreau-broto autocorrelation of lag 8 weighted by sigma electrons | |
| 369 | AATSC0s | AATSC (0, ‘s’) |
2D | averaged and centered moreau-broto autocorrelation of lag 0 weighted by intrinsic state | |
| 370 | AATSC1s | AATSC (1, ‘s’) |
2D | averaged and centered moreau-broto autocorrelation of lag 1 weighted by intrinsic state | |
| 371 | AATSC2s | AATSC (2, ‘s’) |
2D | averaged and centered moreau-broto autocorrelation of lag 2 weighted by intrinsic state | |
| 372 | AATSC3s | AATSC (3, ‘s’) |
2D | averaged and centered moreau-broto autocorrelation of lag 3 weighted by intrinsic state | |
| 373 | AATSC4s | AATSC (4, ‘s’) |
2D | averaged and centered moreau-broto autocorrelation of lag 4 weighted by intrinsic state | |
| 374 | AATSC5s | AATSC (5, ‘s’) |
2D | averaged and centered moreau-broto autocorrelation of lag 5 weighted by intrinsic state | |
| 375 | AATSC6s | AATSC (6, ‘s’) |
2D | averaged and centered moreau-broto autocorrelation of lag 6 weighted by intrinsic state | |
| 376 | AATSC7s | AATSC (7, ‘s’) |
2D | averaged and centered moreau-broto autocorrelation of lag 7 weighted by intrinsic state | |
| 377 | AATSC8s | AATSC (8, ‘s’) |
2D | averaged and centered moreau-broto autocorrelation of lag 8 weighted by intrinsic state | |
| 378 | AATSC0Z | AATSC (0, ‘Z’) |
2D | averaged and centered moreau-broto autocorrelation of lag 0 weighted by atomic number | |
| 379 | AATSC1Z | AATSC (1, ‘Z’) |
2D | averaged and centered moreau-broto autocorrelation of lag 1 weighted by atomic number | |
| 380 | AATSC2Z | AATSC (2, ‘Z’) |
2D | averaged and centered moreau-broto autocorrelation of lag 2 weighted by atomic number | |
| 381 | AATSC3Z | AATSC (3, ‘Z’) |
2D | averaged and centered moreau-broto autocorrelation of lag 3 weighted by atomic number | |
| 382 | AATSC4Z | AATSC (4, ‘Z’) |
2D | averaged and centered moreau-broto autocorrelation of lag 4 weighted by atomic number | |
| 383 | AATSC5Z | AATSC (5, ‘Z’) |
2D | averaged and centered moreau-broto autocorrelation of lag 5 weighted by atomic number | |
| 384 | AATSC6Z | AATSC (6, ‘Z’) |
2D | averaged and centered moreau-broto autocorrelation of lag 6 weighted by atomic number | |
| 385 | AATSC7Z | AATSC (7, ‘Z’) |
2D | averaged and centered moreau-broto autocorrelation of lag 7 weighted by atomic number | |
| 386 | AATSC8Z | AATSC (8, ‘Z’) |
2D | averaged and centered moreau-broto autocorrelation of lag 8 weighted by atomic number | |
| 387 | AATSC0m | AATSC (0, ‘m’) |
2D | averaged and centered moreau-broto autocorrelation of lag 0 weighted by mass | |
| 388 | AATSC1m | AATSC (1, ‘m’) |
2D | averaged and centered moreau-broto autocorrelation of lag 1 weighted by mass | |
| 389 | AATSC2m | AATSC (2, ‘m’) |
2D | averaged and centered moreau-broto autocorrelation of lag 2 weighted by mass | |
| 390 | AATSC3m | AATSC (3, ‘m’) |
2D | averaged and centered moreau-broto autocorrelation of lag 3 weighted by mass | |
| 391 | AATSC4m | AATSC (4, ‘m’) |
2D | averaged and centered moreau-broto autocorrelation of lag 4 weighted by mass | |
| 392 | AATSC5m | AATSC (5, ‘m’) |
2D | averaged and centered moreau-broto autocorrelation of lag 5 weighted by mass | |
| 393 | AATSC6m | AATSC (6, ‘m’) |
2D | averaged and centered moreau-broto autocorrelation of lag 6 weighted by mass | |
| 394 | AATSC7m | AATSC (7, ‘m’) |
2D | averaged and centered moreau-broto autocorrelation of lag 7 weighted by mass | |
| 395 | AATSC8m | AATSC (8, ‘m’) |
2D | averaged and centered moreau-broto autocorrelation of lag 8 weighted by mass | |
| 396 | AATSC0v | AATSC (0, ‘v’) |
2D | averaged and centered moreau-broto autocorrelation of lag 0 weighted by vdw volume | |
| 397 | AATSC1v | AATSC (1, ‘v’) |
2D | averaged and centered moreau-broto autocorrelation of lag 1 weighted by vdw volume | |
| 398 | AATSC2v | AATSC (2, ‘v’) |
2D | averaged and centered moreau-broto autocorrelation of lag 2 weighted by vdw volume | |
| 399 | AATSC3v | AATSC (3, ‘v’) |
2D | averaged and centered moreau-broto autocorrelation of lag 3 weighted by vdw volume | |
| 400 | AATSC4v | AATSC (4, ‘v’) |
2D | averaged and centered moreau-broto autocorrelation of lag 4 weighted by vdw volume | |
| 401 | AATSC5v | AATSC (5, ‘v’) |
2D | averaged and centered moreau-broto autocorrelation of lag 5 weighted by vdw volume | |
| 402 | AATSC6v | AATSC (6, ‘v’) |
2D | averaged and centered moreau-broto autocorrelation of lag 6 weighted by vdw volume | |
| 403 | AATSC7v | AATSC (7, ‘v’) |
2D | averaged and centered moreau-broto autocorrelation of lag 7 weighted by vdw volume | |
| 404 | AATSC8v | AATSC (8, ‘v’) |
2D | averaged and centered moreau-broto autocorrelation of lag 8 weighted by vdw volume | |
| 405 | AATSC0se | AATSC (0, ‘se’) |
2D | averaged and centered moreau-broto autocorrelation of lag 0 weighted by sanderson EN | |
| 406 | AATSC1se | AATSC (1, ‘se’) |
2D | averaged and centered moreau-broto autocorrelation of lag 1 weighted by sanderson EN | |
| 407 | AATSC2se | AATSC (2, ‘se’) |
2D | averaged and centered moreau-broto autocorrelation of lag 2 weighted by sanderson EN | |
| 408 | AATSC3se | AATSC (3, ‘se’) |
2D | averaged and centered moreau-broto autocorrelation of lag 3 weighted by sanderson EN | |
| 409 | AATSC4se | AATSC (4, ‘se’) |
2D | averaged and centered moreau-broto autocorrelation of lag 4 weighted by sanderson EN | |
| 410 | AATSC5se | AATSC (5, ‘se’) |
2D | averaged and centered moreau-broto autocorrelation of lag 5 weighted by sanderson EN | |
| 411 | AATSC6se | AATSC (6, ‘se’) |
2D | averaged and centered moreau-broto autocorrelation of lag 6 weighted by sanderson EN | |
| 412 | AATSC7se | AATSC (7, ‘se’) |
2D | averaged and centered moreau-broto autocorrelation of lag 7 weighted by sanderson EN | |
| 413 | AATSC8se | AATSC (8, ‘se’) |
2D | averaged and centered moreau-broto autocorrelation of lag 8 weighted by sanderson EN | |
| 414 | AATSC0pe | AATSC (0, ‘pe’) |
2D | averaged and centered moreau-broto autocorrelation of lag 0 weighted by pauling EN | |
| 415 | AATSC1pe | AATSC (1, ‘pe’) |
2D | averaged and centered moreau-broto autocorrelation of lag 1 weighted by pauling EN | |
| 416 | AATSC2pe | AATSC (2, ‘pe’) |
2D | averaged and centered moreau-broto autocorrelation of lag 2 weighted by pauling EN | |
| 417 | AATSC3pe | AATSC (3, ‘pe’) |
2D | averaged and centered moreau-broto autocorrelation of lag 3 weighted by pauling EN | |
| 418 | AATSC4pe | AATSC (4, ‘pe’) |
2D | averaged and centered moreau-broto autocorrelation of lag 4 weighted by pauling EN | |
| 419 | AATSC5pe | AATSC (5, ‘pe’) |
2D | averaged and centered moreau-broto autocorrelation of lag 5 weighted by pauling EN | |
| 420 | AATSC6pe | AATSC (6, ‘pe’) |
2D | averaged and centered moreau-broto autocorrelation of lag 6 weighted by pauling EN | |
| 421 | AATSC7pe | AATSC (7, ‘pe’) |
2D | averaged and centered moreau-broto autocorrelation of lag 7 weighted by pauling EN | |
| 422 | AATSC8pe | AATSC (8, ‘pe’) |
2D | averaged and centered moreau-broto autocorrelation of lag 8 weighted by pauling EN | |
| 423 | AATSC0are | AATSC (0, ‘are’) |
2D | averaged and centered moreau-broto autocorrelation of lag 0 weighted by allred-rocow EN | |
| 424 | AATSC1are | AATSC (1, ‘are’) |
2D | averaged and centered moreau-broto autocorrelation of lag 1 weighted by allred-rocow EN | |
| 425 | AATSC2are | AATSC (2, ‘are’) |
2D | averaged and centered moreau-broto autocorrelation of lag 2 weighted by allred-rocow EN | |
| 426 | AATSC3are | AATSC (3, ‘are’) |
2D | averaged and centered moreau-broto autocorrelation of lag 3 weighted by allred-rocow EN | |
| 427 | AATSC4are | AATSC (4, ‘are’) |
2D | averaged and centered moreau-broto autocorrelation of lag 4 weighted by allred-rocow EN | |
| 428 | AATSC5are | AATSC (5, ‘are’) |
2D | averaged and centered moreau-broto autocorrelation of lag 5 weighted by allred-rocow EN | |
| 429 | AATSC6are | AATSC (6, ‘are’) |
2D | averaged and centered moreau-broto autocorrelation of lag 6 weighted by allred-rocow EN | |
| 430 | AATSC7are | AATSC (7, ‘are’) |
2D | averaged and centered moreau-broto autocorrelation of lag 7 weighted by allred-rocow EN | |
| 431 | AATSC8are | AATSC (8, ‘are’) |
2D | averaged and centered moreau-broto autocorrelation of lag 8 weighted by allred-rocow EN | |
| 432 | AATSC0p | AATSC (0, ‘p’) |
2D | averaged and centered moreau-broto autocorrelation of lag 0 weighted by polarizability | |
| 433 | AATSC1p | AATSC (1, ‘p’) |
2D | averaged and centered moreau-broto autocorrelation of lag 1 weighted by polarizability | |
| 434 | AATSC2p | AATSC (2, ‘p’) |
2D | averaged and centered moreau-broto autocorrelation of lag 2 weighted by polarizability | |
| 435 | AATSC3p | AATSC (3, ‘p’) |
2D | averaged and centered moreau-broto autocorrelation of lag 3 weighted by polarizability | |
| 436 | AATSC4p | AATSC (4, ‘p’) |
2D | averaged and centered moreau-broto autocorrelation of lag 4 weighted by polarizability | |
| 437 | AATSC5p | AATSC (5, ‘p’) |
2D | averaged and centered moreau-broto autocorrelation of lag 5 weighted by polarizability | |
| 438 | AATSC6p | AATSC (6, ‘p’) |
2D | averaged and centered moreau-broto autocorrelation of lag 6 weighted by polarizability | |
| 439 | AATSC7p | AATSC (7, ‘p’) |
2D | averaged and centered moreau-broto autocorrelation of lag 7 weighted by polarizability | |
| 440 | AATSC8p | AATSC (8, ‘p’) |
2D | averaged and centered moreau-broto autocorrelation of lag 8 weighted by polarizability | |
| 441 | AATSC0i | AATSC (0, ‘i’) |
2D | averaged and centered moreau-broto autocorrelation of lag 0 weighted by ionization potential | |
| 442 | AATSC1i | AATSC (1, ‘i’) |
2D | averaged and centered moreau-broto autocorrelation of lag 1 weighted by ionization potential | |
| 443 | AATSC2i | AATSC (2, ‘i’) |
2D | averaged and centered moreau-broto autocorrelation of lag 2 weighted by ionization potential | |
| 444 | AATSC3i | AATSC (3, ‘i’) |
2D | averaged and centered moreau-broto autocorrelation of lag 3 weighted by ionization potential | |
| 445 | AATSC4i | AATSC (4, ‘i’) |
2D | averaged and centered moreau-broto autocorrelation of lag 4 weighted by ionization potential | |
| 446 | AATSC5i | AATSC (5, ‘i’) |
2D | averaged and centered moreau-broto autocorrelation of lag 5 weighted by ionization potential | |
| 447 | AATSC6i | AATSC (6, ‘i’) |
2D | averaged and centered moreau-broto autocorrelation of lag 6 weighted by ionization potential | |
| 448 | AATSC7i | AATSC (7, ‘i’) |
2D | averaged and centered moreau-broto autocorrelation of lag 7 weighted by ionization potential | |
| 449 | AATSC8i | AATSC (8, ‘i’) |
2D | averaged and centered moreau-broto autocorrelation of lag 8 weighted by ionization potential | |
| 450 | MATS1c | MATS (1, ‘c’) |
2D | moran coefficient of lag 1 weighted by gasteiger charge | |
| 451 | MATS2c | MATS (2, ‘c’) |
2D | moran coefficient of lag 2 weighted by gasteiger charge | |
| 452 | MATS3c | MATS (3, ‘c’) |
2D | moran coefficient of lag 3 weighted by gasteiger charge | |
| 453 | MATS4c | MATS (4, ‘c’) |
2D | moran coefficient of lag 4 weighted by gasteiger charge | |
| 454 | MATS5c | MATS (5, ‘c’) |
2D | moran coefficient of lag 5 weighted by gasteiger charge | |
| 455 | MATS6c | MATS (6, ‘c’) |
2D | moran coefficient of lag 6 weighted by gasteiger charge | |
| 456 | MATS7c | MATS (7, ‘c’) |
2D | moran coefficient of lag 7 weighted by gasteiger charge | |
| 457 | MATS8c | MATS (8, ‘c’) |
2D | moran coefficient of lag 8 weighted by gasteiger charge | |
| 458 | MATS1dv | MATS (1, ‘dv’) |
2D | moran coefficient of lag 1 weighted by valence electrons | |
| 459 | MATS2dv | MATS (2, ‘dv’) |
2D | moran coefficient of lag 2 weighted by valence electrons | |
| 460 | MATS3dv | MATS (3, ‘dv’) |
2D | moran coefficient of lag 3 weighted by valence electrons | |
| 461 | MATS4dv | MATS (4, ‘dv’) |
2D | moran coefficient of lag 4 weighted by valence electrons | |
| 462 | MATS5dv | MATS (5, ‘dv’) |
2D | moran coefficient of lag 5 weighted by valence electrons | |
| 463 | MATS6dv | MATS (6, ‘dv’) |
2D | moran coefficient of lag 6 weighted by valence electrons | |
| 464 | MATS7dv | MATS (7, ‘dv’) |
2D | moran coefficient of lag 7 weighted by valence electrons | |
| 465 | MATS8dv | MATS (8, ‘dv’) |
2D | moran coefficient of lag 8 weighted by valence electrons | |
| 466 | MATS1d | MATS (1, ‘d’) |
2D | moran coefficient of lag 1 weighted by sigma electrons | |
| 467 | MATS2d | MATS (2, ‘d’) |
2D | moran coefficient of lag 2 weighted by sigma electrons | |
| 468 | MATS3d | MATS (3, ‘d’) |
2D | moran coefficient of lag 3 weighted by sigma electrons | |
| 469 | MATS4d | MATS (4, ‘d’) |
2D | moran coefficient of lag 4 weighted by sigma electrons | |
| 470 | MATS5d | MATS (5, ‘d’) |
2D | moran coefficient of lag 5 weighted by sigma electrons | |
| 471 | MATS6d | MATS (6, ‘d’) |
2D | moran coefficient of lag 6 weighted by sigma electrons | |
| 472 | MATS7d | MATS (7, ‘d’) |
2D | moran coefficient of lag 7 weighted by sigma electrons | |
| 473 | MATS8d | MATS (8, ‘d’) |
2D | moran coefficient of lag 8 weighted by sigma electrons | |
| 474 | MATS1s | MATS (1, ‘s’) |
2D | moran coefficient of lag 1 weighted by intrinsic state | |
| 475 | MATS2s | MATS (2, ‘s’) |
2D | moran coefficient of lag 2 weighted by intrinsic state | |
| 476 | MATS3s | MATS (3, ‘s’) |
2D | moran coefficient of lag 3 weighted by intrinsic state | |
| 477 | MATS4s | MATS (4, ‘s’) |
2D | moran coefficient of lag 4 weighted by intrinsic state | |
| 478 | MATS5s | MATS (5, ‘s’) |
2D | moran coefficient of lag 5 weighted by intrinsic state | |
| 479 | MATS6s | MATS (6, ‘s’) |
2D | moran coefficient of lag 6 weighted by intrinsic state | |
| 480 | MATS7s | MATS (7, ‘s’) |
2D | moran coefficient of lag 7 weighted by intrinsic state | |
| 481 | MATS8s | MATS (8, ‘s’) |
2D | moran coefficient of lag 8 weighted by intrinsic state | |
| 482 | MATS1Z | MATS (1, ‘Z’) |
2D | moran coefficient of lag 1 weighted by atomic number | |
| 483 | MATS2Z | MATS (2, ‘Z’) |
2D | moran coefficient of lag 2 weighted by atomic number | |
| 484 | MATS3Z | MATS (3, ‘Z’) |
2D | moran coefficient of lag 3 weighted by atomic number | |
| 485 | MATS4Z | MATS (4, ‘Z’) |
2D | moran coefficient of lag 4 weighted by atomic number | |
| 486 | MATS5Z | MATS (5, ‘Z’) |
2D | moran coefficient of lag 5 weighted by atomic number | |
| 487 | MATS6Z | MATS (6, ‘Z’) |
2D | moran coefficient of lag 6 weighted by atomic number | |
| 488 | MATS7Z | MATS (7, ‘Z’) |
2D | moran coefficient of lag 7 weighted by atomic number | |
| 489 | MATS8Z | MATS (8, ‘Z’) |
2D | moran coefficient of lag 8 weighted by atomic number | |
| 490 | MATS1m | MATS (1, ‘m’) |
2D | moran coefficient of lag 1 weighted by mass | |
| 491 | MATS2m | MATS (2, ‘m’) |
2D | moran coefficient of lag 2 weighted by mass | |
| 492 | MATS3m | MATS (3, ‘m’) |
2D | moran coefficient of lag 3 weighted by mass | |
| 493 | MATS4m | MATS (4, ‘m’) |
2D | moran coefficient of lag 4 weighted by mass | |
| 494 | MATS5m | MATS (5, ‘m’) |
2D | moran coefficient of lag 5 weighted by mass | |
| 495 | MATS6m | MATS (6, ‘m’) |
2D | moran coefficient of lag 6 weighted by mass | |
| 496 | MATS7m | MATS (7, ‘m’) |
2D | moran coefficient of lag 7 weighted by mass | |
| 497 | MATS8m | MATS (8, ‘m’) |
2D | moran coefficient of lag 8 weighted by mass | |
| 498 | MATS1v | MATS (1, ‘v’) |
2D | moran coefficient of lag 1 weighted by vdw volume | |
| 499 | MATS2v | MATS (2, ‘v’) |
2D | moran coefficient of lag 2 weighted by vdw volume | |
| 500 | MATS3v | MATS (3, ‘v’) |
2D | moran coefficient of lag 3 weighted by vdw volume | |
| 501 | MATS4v | MATS (4, ‘v’) |
2D | moran coefficient of lag 4 weighted by vdw volume | |
| 502 | MATS5v | MATS (5, ‘v’) |
2D | moran coefficient of lag 5 weighted by vdw volume | |
| 503 | MATS6v | MATS (6, ‘v’) |
2D | moran coefficient of lag 6 weighted by vdw volume | |
| 504 | MATS7v | MATS (7, ‘v’) |
2D | moran coefficient of lag 7 weighted by vdw volume | |
| 505 | MATS8v | MATS (8, ‘v’) |
2D | moran coefficient of lag 8 weighted by vdw volume | |
| 506 | MATS1se | MATS (1, ‘se’) |
2D | moran coefficient of lag 1 weighted by sanderson EN | |
| 507 | MATS2se | MATS (2, ‘se’) |
2D | moran coefficient of lag 2 weighted by sanderson EN | |
| 508 | MATS3se | MATS (3, ‘se’) |
2D | moran coefficient of lag 3 weighted by sanderson EN | |
| 509 | MATS4se | MATS (4, ‘se’) |
2D | moran coefficient of lag 4 weighted by sanderson EN | |
| 510 | MATS5se | MATS (5, ‘se’) |
2D | moran coefficient of lag 5 weighted by sanderson EN | |
| 511 | MATS6se | MATS (6, ‘se’) |
2D | moran coefficient of lag 6 weighted by sanderson EN | |
| 512 | MATS7se | MATS (7, ‘se’) |
2D | moran coefficient of lag 7 weighted by sanderson EN | |
| 513 | MATS8se | MATS (8, ‘se’) |
2D | moran coefficient of lag 8 weighted by sanderson EN | |
| 514 | MATS1pe | MATS (1, ‘pe’) |
2D | moran coefficient of lag 1 weighted by pauling EN | |
| 515 | MATS2pe | MATS (2, ‘pe’) |
2D | moran coefficient of lag 2 weighted by pauling EN | |
| 516 | MATS3pe | MATS (3, ‘pe’) |
2D | moran coefficient of lag 3 weighted by pauling EN | |
| 517 | MATS4pe | MATS (4, ‘pe’) |
2D | moran coefficient of lag 4 weighted by pauling EN | |
| 518 | MATS5pe | MATS (5, ‘pe’) |
2D | moran coefficient of lag 5 weighted by pauling EN | |
| 519 | MATS6pe | MATS (6, ‘pe’) |
2D | moran coefficient of lag 6 weighted by pauling EN | |
| 520 | MATS7pe | MATS (7, ‘pe’) |
2D | moran coefficient of lag 7 weighted by pauling EN | |
| 521 | MATS8pe | MATS (8, ‘pe’) |
2D | moran coefficient of lag 8 weighted by pauling EN | |
| 522 | MATS1are | MATS (1, ‘are’) |
2D | moran coefficient of lag 1 weighted by allred-rocow EN | |
| 523 | MATS2are | MATS (2, ‘are’) |
2D | moran coefficient of lag 2 weighted by allred-rocow EN | |
| 524 | MATS3are | MATS (3, ‘are’) |
2D | moran coefficient of lag 3 weighted by allred-rocow EN | |
| 525 | MATS4are | MATS (4, ‘are’) |
2D | moran coefficient of lag 4 weighted by allred-rocow EN | |
| 526 | MATS5are | MATS (5, ‘are’) |
2D | moran coefficient of lag 5 weighted by allred-rocow EN | |
| 527 | MATS6are | MATS (6, ‘are’) |
2D | moran coefficient of lag 6 weighted by allred-rocow EN | |
| 528 | MATS7are | MATS (7, ‘are’) |
2D | moran coefficient of lag 7 weighted by allred-rocow EN | |
| 529 | MATS8are | MATS (8, ‘are’) |
2D | moran coefficient of lag 8 weighted by allred-rocow EN | |
| 530 | MATS1p | MATS (1, ‘p’) |
2D | moran coefficient of lag 1 weighted by polarizability | |
| 531 | MATS2p | MATS (2, ‘p’) |
2D | moran coefficient of lag 2 weighted by polarizability | |
| 532 | MATS3p | MATS (3, ‘p’) |
2D | moran coefficient of lag 3 weighted by polarizability | |
| 533 | MATS4p | MATS (4, ‘p’) |
2D | moran coefficient of lag 4 weighted by polarizability | |
| 534 | MATS5p | MATS (5, ‘p’) |
2D | moran coefficient of lag 5 weighted by polarizability | |
| 535 | MATS6p | MATS (6, ‘p’) |
2D | moran coefficient of lag 6 weighted by polarizability | |
| 536 | MATS7p | MATS (7, ‘p’) |
2D | moran coefficient of lag 7 weighted by polarizability | |
| 537 | MATS8p | MATS (8, ‘p’) |
2D | moran coefficient of lag 8 weighted by polarizability | |
| 538 | MATS1i | MATS (1, ‘i’) |
2D | moran coefficient of lag 1 weighted by ionization potential | |
| 539 | MATS2i | MATS (2, ‘i’) |
2D | moran coefficient of lag 2 weighted by ionization potential | |
| 540 | MATS3i | MATS (3, ‘i’) |
2D | moran coefficient of lag 3 weighted by ionization potential | |
| 541 | MATS4i | MATS (4, ‘i’) |
2D | moran coefficient of lag 4 weighted by ionization potential | |
| 542 | MATS5i | MATS (5, ‘i’) |
2D | moran coefficient of lag 5 weighted by ionization potential | |
| 543 | MATS6i | MATS (6, ‘i’) |
2D | moran coefficient of lag 6 weighted by ionization potential | |
| 544 | MATS7i | MATS (7, ‘i’) |
2D | moran coefficient of lag 7 weighted by ionization potential | |
| 545 | MATS8i | MATS (8, ‘i’) |
2D | moran coefficient of lag 8 weighted by ionization potential | |
| 546 | GATS1c | GATS (1, ‘c’) |
2D | geary coefficient of lag 1 weighted by gasteiger charge | |
| 547 | GATS2c | GATS (2, ‘c’) |
2D | geary coefficient of lag 2 weighted by gasteiger charge | |
| 548 | GATS3c | GATS (3, ‘c’) |
2D | geary coefficient of lag 3 weighted by gasteiger charge | |
| 549 | GATS4c | GATS (4, ‘c’) |
2D | geary coefficient of lag 4 weighted by gasteiger charge | |
| 550 | GATS5c | GATS (5, ‘c’) |
2D | geary coefficient of lag 5 weighted by gasteiger charge | |
| 551 | GATS6c | GATS (6, ‘c’) |
2D | geary coefficient of lag 6 weighted by gasteiger charge | |
| 552 | GATS7c | GATS (7, ‘c’) |
2D | geary coefficient of lag 7 weighted by gasteiger charge | |
| 553 | GATS8c | GATS (8, ‘c’) |
2D | geary coefficient of lag 8 weighted by gasteiger charge | |
| 554 | GATS1dv | GATS (1, ‘dv’) |
2D | geary coefficient of lag 1 weighted by valence electrons | |
| 555 | GATS2dv | GATS (2, ‘dv’) |
2D | geary coefficient of lag 2 weighted by valence electrons | |
| 556 | GATS3dv | GATS (3, ‘dv’) |
2D | geary coefficient of lag 3 weighted by valence electrons | |
| 557 | GATS4dv | GATS (4, ‘dv’) |
2D | geary coefficient of lag 4 weighted by valence electrons | |
| 558 | GATS5dv | GATS (5, ‘dv’) |
2D | geary coefficient of lag 5 weighted by valence electrons | |
| 559 | GATS6dv | GATS (6, ‘dv’) |
2D | geary coefficient of lag 6 weighted by valence electrons | |
| 560 | GATS7dv | GATS (7, ‘dv’) |
2D | geary coefficient of lag 7 weighted by valence electrons | |
| 561 | GATS8dv | GATS (8, ‘dv’) |
2D | geary coefficient of lag 8 weighted by valence electrons | |
| 562 | GATS1d | GATS (1, ‘d’) |
2D | geary coefficient of lag 1 weighted by sigma electrons | |
| 563 | GATS2d | GATS (2, ‘d’) |
2D | geary coefficient of lag 2 weighted by sigma electrons | |
| 564 | GATS3d | GATS (3, ‘d’) |
2D | geary coefficient of lag 3 weighted by sigma electrons | |
| 565 | GATS4d | GATS (4, ‘d’) |
2D | geary coefficient of lag 4 weighted by sigma electrons | |
| 566 | GATS5d | GATS (5, ‘d’) |
2D | geary coefficient of lag 5 weighted by sigma electrons | |
| 567 | GATS6d | GATS (6, ‘d’) |
2D | geary coefficient of lag 6 weighted by sigma electrons | |
| 568 | GATS7d | GATS (7, ‘d’) |
2D | geary coefficient of lag 7 weighted by sigma electrons | |
| 569 | GATS8d | GATS (8, ‘d’) |
2D | geary coefficient of lag 8 weighted by sigma electrons | |
| 570 | GATS1s | GATS (1, ‘s’) |
2D | geary coefficient of lag 1 weighted by intrinsic state | |
| 571 | GATS2s | GATS (2, ‘s’) |
2D | geary coefficient of lag 2 weighted by intrinsic state | |
| 572 | GATS3s | GATS (3, ‘s’) |
2D | geary coefficient of lag 3 weighted by intrinsic state | |
| 573 | GATS4s | GATS (4, ‘s’) |
2D | geary coefficient of lag 4 weighted by intrinsic state | |
| 574 | GATS5s | GATS (5, ‘s’) |
2D | geary coefficient of lag 5 weighted by intrinsic state | |
| 575 | GATS6s | GATS (6, ‘s’) |
2D | geary coefficient of lag 6 weighted by intrinsic state | |
| 576 | GATS7s | GATS (7, ‘s’) |
2D | geary coefficient of lag 7 weighted by intrinsic state | |
| 577 | GATS8s | GATS (8, ‘s’) |
2D | geary coefficient of lag 8 weighted by intrinsic state | |
| 578 | GATS1Z | GATS (1, ‘Z’) |
2D | geary coefficient of lag 1 weighted by atomic number | |
| 579 | GATS2Z | GATS (2, ‘Z’) |
2D | geary coefficient of lag 2 weighted by atomic number | |
| 580 | GATS3Z | GATS (3, ‘Z’) |
2D | geary coefficient of lag 3 weighted by atomic number | |
| 581 | GATS4Z | GATS (4, ‘Z’) |
2D | geary coefficient of lag 4 weighted by atomic number | |
| 582 | GATS5Z | GATS (5, ‘Z’) |
2D | geary coefficient of lag 5 weighted by atomic number | |
| 583 | GATS6Z | GATS (6, ‘Z’) |
2D | geary coefficient of lag 6 weighted by atomic number | |
| 584 | GATS7Z | GATS (7, ‘Z’) |
2D | geary coefficient of lag 7 weighted by atomic number | |
| 585 | GATS8Z | GATS (8, ‘Z’) |
2D | geary coefficient of lag 8 weighted by atomic number | |
| 586 | GATS1m | GATS (1, ‘m’) |
2D | geary coefficient of lag 1 weighted by mass | |
| 587 | GATS2m | GATS (2, ‘m’) |
2D | geary coefficient of lag 2 weighted by mass | |
| 588 | GATS3m | GATS (3, ‘m’) |
2D | geary coefficient of lag 3 weighted by mass | |
| 589 | GATS4m | GATS (4, ‘m’) |
2D | geary coefficient of lag 4 weighted by mass | |
| 590 | GATS5m | GATS (5, ‘m’) |
2D | geary coefficient of lag 5 weighted by mass | |
| 591 | GATS6m | GATS (6, ‘m’) |
2D | geary coefficient of lag 6 weighted by mass | |
| 592 | GATS7m | GATS (7, ‘m’) |
2D | geary coefficient of lag 7 weighted by mass | |
| 593 | GATS8m | GATS (8, ‘m’) |
2D | geary coefficient of lag 8 weighted by mass | |
| 594 | GATS1v | GATS (1, ‘v’) |
2D | geary coefficient of lag 1 weighted by vdw volume | |
| 595 | GATS2v | GATS (2, ‘v’) |
2D | geary coefficient of lag 2 weighted by vdw volume | |
| 596 | GATS3v | GATS (3, ‘v’) |
2D | geary coefficient of lag 3 weighted by vdw volume | |
| 597 | GATS4v | GATS (4, ‘v’) |
2D | geary coefficient of lag 4 weighted by vdw volume | |
| 598 | GATS5v | GATS (5, ‘v’) |
2D | geary coefficient of lag 5 weighted by vdw volume | |
| 599 | GATS6v | GATS (6, ‘v’) |
2D | geary coefficient of lag 6 weighted by vdw volume | |
| 600 | GATS7v | GATS (7, ‘v’) |
2D | geary coefficient of lag 7 weighted by vdw volume | |
| 601 | GATS8v | GATS (8, ‘v’) |
2D | geary coefficient of lag 8 weighted by vdw volume | |
| 602 | GATS1se | GATS (1, ‘se’) |
2D | geary coefficient of lag 1 weighted by sanderson EN | |
| 603 | GATS2se | GATS (2, ‘se’) |
2D | geary coefficient of lag 2 weighted by sanderson EN | |
| 604 | GATS3se | GATS (3, ‘se’) |
2D | geary coefficient of lag 3 weighted by sanderson EN | |
| 605 | GATS4se | GATS (4, ‘se’) |
2D | geary coefficient of lag 4 weighted by sanderson EN | |
| 606 | GATS5se | GATS (5, ‘se’) |
2D | geary coefficient of lag 5 weighted by sanderson EN | |
| 607 | GATS6se | GATS (6, ‘se’) |
2D | geary coefficient of lag 6 weighted by sanderson EN | |
| 608 | GATS7se | GATS (7, ‘se’) |
2D | geary coefficient of lag 7 weighted by sanderson EN | |
| 609 | GATS8se | GATS (8, ‘se’) |
2D | geary coefficient of lag 8 weighted by sanderson EN | |
| 610 | GATS1pe | GATS (1, ‘pe’) |
2D | geary coefficient of lag 1 weighted by pauling EN | |
| 611 | GATS2pe | GATS (2, ‘pe’) |
2D | geary coefficient of lag 2 weighted by pauling EN | |
| 612 | GATS3pe | GATS (3, ‘pe’) |
2D | geary coefficient of lag 3 weighted by pauling EN | |
| 613 | GATS4pe | GATS (4, ‘pe’) |
2D | geary coefficient of lag 4 weighted by pauling EN | |
| 614 | GATS5pe | GATS (5, ‘pe’) |
2D | geary coefficient of lag 5 weighted by pauling EN | |
| 615 | GATS6pe | GATS (6, ‘pe’) |
2D | geary coefficient of lag 6 weighted by pauling EN | |
| 616 | GATS7pe | GATS (7, ‘pe’) |
2D | geary coefficient of lag 7 weighted by pauling EN | |
| 617 | GATS8pe | GATS (8, ‘pe’) |
2D | geary coefficient of lag 8 weighted by pauling EN | |
| 618 | GATS1are | GATS (1, ‘are’) |
2D | geary coefficient of lag 1 weighted by allred-rocow EN | |
| 619 | GATS2are | GATS (2, ‘are’) |
2D | geary coefficient of lag 2 weighted by allred-rocow EN | |
| 620 | GATS3are | GATS (3, ‘are’) |
2D | geary coefficient of lag 3 weighted by allred-rocow EN | |
| 621 | GATS4are | GATS (4, ‘are’) |
2D | geary coefficient of lag 4 weighted by allred-rocow EN | |
| 622 | GATS5are | GATS (5, ‘are’) |
2D | geary coefficient of lag 5 weighted by allred-rocow EN | |
| 623 | GATS6are | GATS (6, ‘are’) |
2D | geary coefficient of lag 6 weighted by allred-rocow EN | |
| 624 | GATS7are | GATS (7, ‘are’) |
2D | geary coefficient of lag 7 weighted by allred-rocow EN | |
| 625 | GATS8are | GATS (8, ‘are’) |
2D | geary coefficient of lag 8 weighted by allred-rocow EN | |
| 626 | GATS1p | GATS (1, ‘p’) |
2D | geary coefficient of lag 1 weighted by polarizability | |
| 627 | GATS2p | GATS (2, ‘p’) |
2D | geary coefficient of lag 2 weighted by polarizability | |
| 628 | GATS3p | GATS (3, ‘p’) |
2D | geary coefficient of lag 3 weighted by polarizability | |
| 629 | GATS4p | GATS (4, ‘p’) |
2D | geary coefficient of lag 4 weighted by polarizability | |
| 630 | GATS5p | GATS (5, ‘p’) |
2D | geary coefficient of lag 5 weighted by polarizability | |
| 631 | GATS6p | GATS (6, ‘p’) |
2D | geary coefficient of lag 6 weighted by polarizability | |
| 632 | GATS7p | GATS (7, ‘p’) |
2D | geary coefficient of lag 7 weighted by polarizability | |
| 633 | GATS8p | GATS (8, ‘p’) |
2D | geary coefficient of lag 8 weighted by polarizability | |
| 634 | GATS1i | GATS (1, ‘i’) |
2D | geary coefficient of lag 1 weighted by ionization potential | |
| 635 | GATS2i | GATS (2, ‘i’) |
2D | geary coefficient of lag 2 weighted by ionization potential | |
| 636 | GATS3i | GATS (3, ‘i’) |
2D | geary coefficient of lag 3 weighted by ionization potential | |
| 637 | GATS4i | GATS (4, ‘i’) |
2D | geary coefficient of lag 4 weighted by ionization potential | |
| 638 | GATS5i | GATS (5, ‘i’) |
2D | geary coefficient of lag 5 weighted by ionization potential | |
| 639 | GATS6i | GATS (6, ‘i’) |
2D | geary coefficient of lag 6 weighted by ionization potential | |
| 640 | GATS7i | GATS (7, ‘i’) |
2D | geary coefficient of lag 7 weighted by ionization potential | |
| 641 | GATS8i | GATS (8, ‘i’) |
2D | geary coefficient of lag 8 weighted by ionization potential | |
| 642 | BCUT |
BCUTc-1h | BCUT (‘c’, 0) |
2D | first heighest eigenvalue of Burden matrix weighted by gasteiger charge |
| 643 | BCUTc-1l | BCUT (‘c’, -1) |
2D | first lowest eigenvalue of Burden matrix weighted by gasteiger charge | |
| 644 | BCUTdv-1h | BCUT (‘dv’, 0) |
2D | first heighest eigenvalue of Burden matrix weighted by valence electrons | |
| 645 | BCUTdv-1l | BCUT (‘dv’, -1) |
2D | first lowest eigenvalue of Burden matrix weighted by valence electrons | |
| 646 | BCUTd-1h | BCUT (‘d’, 0) |
2D | first heighest eigenvalue of Burden matrix weighted by sigma electrons | |
| 647 | BCUTd-1l | BCUT (‘d’, -1) |
2D | first lowest eigenvalue of Burden matrix weighted by sigma electrons | |
| 648 | BCUTs-1h | BCUT (‘s’, 0) |
2D | first heighest eigenvalue of Burden matrix weighted by intrinsic state | |
| 649 | BCUTs-1l | BCUT (‘s’, -1) |
2D | first lowest eigenvalue of Burden matrix weighted by intrinsic state | |
| 650 | BCUTZ-1h | BCUT (‘Z’, 0) |
2D | first heighest eigenvalue of Burden matrix weighted by atomic number | |
| 651 | BCUTZ-1l | BCUT (‘Z’, -1) |
2D | first lowest eigenvalue of Burden matrix weighted by atomic number | |
| 652 | BCUTm-1h | BCUT (‘m’, 0) |
2D | first heighest eigenvalue of Burden matrix weighted by mass | |
| 653 | BCUTm-1l | BCUT (‘m’, -1) |
2D | first lowest eigenvalue of Burden matrix weighted by mass | |
| 654 | BCUTv-1h | BCUT (‘v’, 0) |
2D | first heighest eigenvalue of Burden matrix weighted by vdw volume | |
| 655 | BCUTv-1l | BCUT (‘v’, -1) |
2D | first lowest eigenvalue of Burden matrix weighted by vdw volume | |
| 656 | BCUTse-1h | BCUT (‘se’, 0) |
2D | first heighest eigenvalue of Burden matrix weighted by sanderson EN | |
| 657 | BCUTse-1l | BCUT (‘se’, -1) |
2D | first lowest eigenvalue of Burden matrix weighted by sanderson EN | |
| 658 | BCUTpe-1h | BCUT (‘pe’, 0) |
2D | first heighest eigenvalue of Burden matrix weighted by pauling EN | |
| 659 | BCUTpe-1l | BCUT (‘pe’, -1) |
2D | first lowest eigenvalue of Burden matrix weighted by pauling EN | |
| 660 | BCUTare-1h | BCUT (‘are’, 0) |
2D | first heighest eigenvalue of Burden matrix weighted by allred-rocow EN | |
| 661 | BCUTare-1l | BCUT (‘are’, -1) |
2D | first lowest eigenvalue of Burden matrix weighted by allred-rocow EN | |
| 662 | BCUTp-1h | BCUT (‘p’, 0) |
2D | first heighest eigenvalue of Burden matrix weighted by polarizability | |
| 663 | BCUTp-1l | BCUT (‘p’, -1) |
2D | first lowest eigenvalue of Burden matrix weighted by polarizability | |
| 664 | BCUTi-1h | BCUT (‘i’, 0) |
2D | first heighest eigenvalue of Burden matrix weighted by ionization potential | |
| 665 | BCUTi-1l | BCUT (‘i’, -1) |
2D | first lowest eigenvalue of Burden matrix weighted by ionization potential | |
| 666 | BalabanJ |
BalabanJ | BalabanJ () |
2D | Balaban’s J index |
| 667 | BaryszMatrix |
SpAbs_DzZ | BaryszMatrix (‘Z’, ‘SpAbs’) |
2D | graph energy from Barysz matrix weighted by atomic number |
| 668 | SpMax_DzZ | BaryszMatrix (‘Z’, ‘SpMax’) |
2D | leading eigenvalue from Barysz matrix weighted by atomic number | |
| 669 | SpDiam_DzZ | BaryszMatrix (‘Z’, ‘SpDiam’) |
2D | spectral diamiter from Barysz matrix weighted by atomic number | |
| 670 | SpAD_DzZ | BaryszMatrix (‘Z’, ‘SpAD’) |
2D | spectral absolute diviation from Barysz matrix weighted by atomic number | |
| 671 | SpMAD_DzZ | BaryszMatrix (‘Z’, ‘SpMAD’) |
2D | spectral mean absolute diviation from Barysz matrix weighted by atomic number | |
| 672 | LogEE_DzZ | BaryszMatrix (‘Z’, ‘LogEE’) |
2D | Estrada-like index from Barysz matrix weighted by atomic number | |
| 673 | SM1_DzZ | BaryszMatrix (‘Z’, ‘SM1’) |
2D | spectral moment from Barysz matrix weighted by atomic number | |
| 674 | VE1_DzZ | BaryszMatrix (‘Z’, ‘VE1’) |
2D | coefficient sum of the last eigenvector from Barysz matrix weighted by atomic number | |
| 675 | VE2_DzZ | BaryszMatrix (‘Z’, ‘VE2’) |
2D | average coefficient of the last eigenvector from Barysz matrix weighted by atomic number | |
| 676 | VE3_DzZ | BaryszMatrix (‘Z’, ‘VE3’) |
2D | logarithmic coefficient sum of the last eigenvector from Barysz matrix weighted by atomic number | |
| 677 | VR1_DzZ | BaryszMatrix (‘Z’, ‘VR1’) |
2D | Randic-like eigenvector-based index from Barysz matrix weighted by atomic number | |
| 678 | VR2_DzZ | BaryszMatrix (‘Z’, ‘VR2’) |
2D | normalized Randic-like eigenvector-based index from Barysz matrix weighted by atomic number | |
| 679 | VR3_DzZ | BaryszMatrix (‘Z’, ‘VR3’) |
2D | logarithmic Randic-like eigenvector-based index from Barysz matrix weighted by atomic number | |
| 680 | SpAbs_Dzm | BaryszMatrix (‘m’, ‘SpAbs’) |
2D | graph energy from Barysz matrix weighted by mass | |
| 681 | SpMax_Dzm | BaryszMatrix (‘m’, ‘SpMax’) |
2D | leading eigenvalue from Barysz matrix weighted by mass | |
| 682 | SpDiam_Dzm | BaryszMatrix (‘m’, ‘SpDiam’) |
2D | spectral diamiter from Barysz matrix weighted by mass | |
| 683 | SpAD_Dzm | BaryszMatrix (‘m’, ‘SpAD’) |
2D | spectral absolute diviation from Barysz matrix weighted by mass | |
| 684 | SpMAD_Dzm | BaryszMatrix (‘m’, ‘SpMAD’) |
2D | spectral mean absolute diviation from Barysz matrix weighted by mass | |
| 685 | LogEE_Dzm | BaryszMatrix (‘m’, ‘LogEE’) |
2D | Estrada-like index from Barysz matrix weighted by mass | |
| 686 | SM1_Dzm | BaryszMatrix (‘m’, ‘SM1’) |
2D | spectral moment from Barysz matrix weighted by mass | |
| 687 | VE1_Dzm | BaryszMatrix (‘m’, ‘VE1’) |
2D | coefficient sum of the last eigenvector from Barysz matrix weighted by mass | |
| 688 | VE2_Dzm | BaryszMatrix (‘m’, ‘VE2’) |
2D | average coefficient of the last eigenvector from Barysz matrix weighted by mass | |
| 689 | VE3_Dzm | BaryszMatrix (‘m’, ‘VE3’) |
2D | logarithmic coefficient sum of the last eigenvector from Barysz matrix weighted by mass | |
| 690 | VR1_Dzm | BaryszMatrix (‘m’, ‘VR1’) |
2D | Randic-like eigenvector-based index from Barysz matrix weighted by mass | |
| 691 | VR2_Dzm | BaryszMatrix (‘m’, ‘VR2’) |
2D | normalized Randic-like eigenvector-based index from Barysz matrix weighted by mass | |
| 692 | VR3_Dzm | BaryszMatrix (‘m’, ‘VR3’) |
2D | logarithmic Randic-like eigenvector-based index from Barysz matrix weighted by mass | |
| 693 | SpAbs_Dzv | BaryszMatrix (‘v’, ‘SpAbs’) |
2D | graph energy from Barysz matrix weighted by vdw volume | |
| 694 | SpMax_Dzv | BaryszMatrix (‘v’, ‘SpMax’) |
2D | leading eigenvalue from Barysz matrix weighted by vdw volume | |
| 695 | SpDiam_Dzv | BaryszMatrix (‘v’, ‘SpDiam’) |
2D | spectral diamiter from Barysz matrix weighted by vdw volume | |
| 696 | SpAD_Dzv | BaryszMatrix (‘v’, ‘SpAD’) |
2D | spectral absolute diviation from Barysz matrix weighted by vdw volume | |
| 697 | SpMAD_Dzv | BaryszMatrix (‘v’, ‘SpMAD’) |
2D | spectral mean absolute diviation from Barysz matrix weighted by vdw volume | |
| 698 | LogEE_Dzv | BaryszMatrix (‘v’, ‘LogEE’) |
2D | Estrada-like index from Barysz matrix weighted by vdw volume | |
| 699 | SM1_Dzv | BaryszMatrix (‘v’, ‘SM1’) |
2D | spectral moment from Barysz matrix weighted by vdw volume | |
| 700 | VE1_Dzv | BaryszMatrix (‘v’, ‘VE1’) |
2D | coefficient sum of the last eigenvector from Barysz matrix weighted by vdw volume | |
| 701 | VE2_Dzv | BaryszMatrix (‘v’, ‘VE2’) |
2D | average coefficient of the last eigenvector from Barysz matrix weighted by vdw volume | |
| 702 | VE3_Dzv | BaryszMatrix (‘v’, ‘VE3’) |
2D | logarithmic coefficient sum of the last eigenvector from Barysz matrix weighted by vdw volume | |
| 703 | VR1_Dzv | BaryszMatrix (‘v’, ‘VR1’) |
2D | Randic-like eigenvector-based index from Barysz matrix weighted by vdw volume | |
| 704 | VR2_Dzv | BaryszMatrix (‘v’, ‘VR2’) |
2D | normalized Randic-like eigenvector-based index from Barysz matrix weighted by vdw volume | |
| 705 | VR3_Dzv | BaryszMatrix (‘v’, ‘VR3’) |
2D | logarithmic Randic-like eigenvector-based index from Barysz matrix weighted by vdw volume | |
| 706 | SpAbs_Dzse | BaryszMatrix (‘se’, ‘SpAbs’) |
2D | graph energy from Barysz matrix weighted by sanderson EN | |
| 707 | SpMax_Dzse | BaryszMatrix (‘se’, ‘SpMax’) |
2D | leading eigenvalue from Barysz matrix weighted by sanderson EN | |
| 708 | SpDiam_Dzse | BaryszMatrix (‘se’, ‘SpDiam’) |
2D | spectral diamiter from Barysz matrix weighted by sanderson EN | |
| 709 | SpAD_Dzse | BaryszMatrix (‘se’, ‘SpAD’) |
2D | spectral absolute diviation from Barysz matrix weighted by sanderson EN | |
| 710 | SpMAD_Dzse | BaryszMatrix (‘se’, ‘SpMAD’) |
2D | spectral mean absolute diviation from Barysz matrix weighted by sanderson EN | |
| 711 | LogEE_Dzse | BaryszMatrix (‘se’, ‘LogEE’) |
2D | Estrada-like index from Barysz matrix weighted by sanderson EN | |
| 712 | SM1_Dzse | BaryszMatrix (‘se’, ‘SM1’) |
2D | spectral moment from Barysz matrix weighted by sanderson EN | |
| 713 | VE1_Dzse | BaryszMatrix (‘se’, ‘VE1’) |
2D | coefficient sum of the last eigenvector from Barysz matrix weighted by sanderson EN | |
| 714 | VE2_Dzse | BaryszMatrix (‘se’, ‘VE2’) |
2D | average coefficient of the last eigenvector from Barysz matrix weighted by sanderson EN | |
| 715 | VE3_Dzse | BaryszMatrix (‘se’, ‘VE3’) |
2D | logarithmic coefficient sum of the last eigenvector from Barysz matrix weighted by sanderson EN | |
| 716 | VR1_Dzse | BaryszMatrix (‘se’, ‘VR1’) |
2D | Randic-like eigenvector-based index from Barysz matrix weighted by sanderson EN | |
| 717 | VR2_Dzse | BaryszMatrix (‘se’, ‘VR2’) |
2D | normalized Randic-like eigenvector-based index from Barysz matrix weighted by sanderson EN | |
| 718 | VR3_Dzse | BaryszMatrix (‘se’, ‘VR3’) |
2D | logarithmic Randic-like eigenvector-based index from Barysz matrix weighted by sanderson EN | |
| 719 | SpAbs_Dzpe | BaryszMatrix (‘pe’, ‘SpAbs’) |
2D | graph energy from Barysz matrix weighted by pauling EN | |
| 720 | SpMax_Dzpe | BaryszMatrix (‘pe’, ‘SpMax’) |
2D | leading eigenvalue from Barysz matrix weighted by pauling EN | |
| 721 | SpDiam_Dzpe | BaryszMatrix (‘pe’, ‘SpDiam’) |
2D | spectral diamiter from Barysz matrix weighted by pauling EN | |
| 722 | SpAD_Dzpe | BaryszMatrix (‘pe’, ‘SpAD’) |
2D | spectral absolute diviation from Barysz matrix weighted by pauling EN | |
| 723 | SpMAD_Dzpe | BaryszMatrix (‘pe’, ‘SpMAD’) |
2D | spectral mean absolute diviation from Barysz matrix weighted by pauling EN | |
| 724 | LogEE_Dzpe | BaryszMatrix (‘pe’, ‘LogEE’) |
2D | Estrada-like index from Barysz matrix weighted by pauling EN | |
| 725 | SM1_Dzpe | BaryszMatrix (‘pe’, ‘SM1’) |
2D | spectral moment from Barysz matrix weighted by pauling EN | |
| 726 | VE1_Dzpe | BaryszMatrix (‘pe’, ‘VE1’) |
2D | coefficient sum of the last eigenvector from Barysz matrix weighted by pauling EN | |
| 727 | VE2_Dzpe | BaryszMatrix (‘pe’, ‘VE2’) |
2D | average coefficient of the last eigenvector from Barysz matrix weighted by pauling EN | |
| 728 | VE3_Dzpe | BaryszMatrix (‘pe’, ‘VE3’) |
2D | logarithmic coefficient sum of the last eigenvector from Barysz matrix weighted by pauling EN | |
| 729 | VR1_Dzpe | BaryszMatrix (‘pe’, ‘VR1’) |
2D | Randic-like eigenvector-based index from Barysz matrix weighted by pauling EN | |
| 730 | VR2_Dzpe | BaryszMatrix (‘pe’, ‘VR2’) |
2D | normalized Randic-like eigenvector-based index from Barysz matrix weighted by pauling EN | |
| 731 | VR3_Dzpe | BaryszMatrix (‘pe’, ‘VR3’) |
2D | logarithmic Randic-like eigenvector-based index from Barysz matrix weighted by pauling EN | |
| 732 | SpAbs_Dzare | BaryszMatrix (‘are’, ‘SpAbs’) |
2D | graph energy from Barysz matrix weighted by allred-rocow EN | |
| 733 | SpMax_Dzare | BaryszMatrix (‘are’, ‘SpMax’) |
2D | leading eigenvalue from Barysz matrix weighted by allred-rocow EN | |
| 734 | SpDiam_Dzare | BaryszMatrix (‘are’, ‘SpDiam’) |
2D | spectral diamiter from Barysz matrix weighted by allred-rocow EN | |
| 735 | SpAD_Dzare | BaryszMatrix (‘are’, ‘SpAD’) |
2D | spectral absolute diviation from Barysz matrix weighted by allred-rocow EN | |
| 736 | SpMAD_Dzare | BaryszMatrix (‘are’, ‘SpMAD’) |
2D | spectral mean absolute diviation from Barysz matrix weighted by allred-rocow EN | |
| 737 | LogEE_Dzare | BaryszMatrix (‘are’, ‘LogEE’) |
2D | Estrada-like index from Barysz matrix weighted by allred-rocow EN | |
| 738 | SM1_Dzare | BaryszMatrix (‘are’, ‘SM1’) |
2D | spectral moment from Barysz matrix weighted by allred-rocow EN | |
| 739 | VE1_Dzare | BaryszMatrix (‘are’, ‘VE1’) |
2D | coefficient sum of the last eigenvector from Barysz matrix weighted by allred-rocow EN | |
| 740 | VE2_Dzare | BaryszMatrix (‘are’, ‘VE2’) |
2D | average coefficient of the last eigenvector from Barysz matrix weighted by allred-rocow EN | |
| 741 | VE3_Dzare | BaryszMatrix (‘are’, ‘VE3’) |
2D | logarithmic coefficient sum of the last eigenvector from Barysz matrix weighted by allred-rocow EN | |
| 742 | VR1_Dzare | BaryszMatrix (‘are’, ‘VR1’) |
2D | Randic-like eigenvector-based index from Barysz matrix weighted by allred-rocow EN | |
| 743 | VR2_Dzare | BaryszMatrix (‘are’, ‘VR2’) |
2D | normalized Randic-like eigenvector-based index from Barysz matrix weighted by allred-rocow EN | |
| 744 | VR3_Dzare | BaryszMatrix (‘are’, ‘VR3’) |
2D | logarithmic Randic-like eigenvector-based index from Barysz matrix weighted by allred-rocow EN | |
| 745 | SpAbs_Dzp | BaryszMatrix (‘p’, ‘SpAbs’) |
2D | graph energy from Barysz matrix weighted by polarizability | |
| 746 | SpMax_Dzp | BaryszMatrix (‘p’, ‘SpMax’) |
2D | leading eigenvalue from Barysz matrix weighted by polarizability | |
| 747 | SpDiam_Dzp | BaryszMatrix (‘p’, ‘SpDiam’) |
2D | spectral diamiter from Barysz matrix weighted by polarizability | |
| 748 | SpAD_Dzp | BaryszMatrix (‘p’, ‘SpAD’) |
2D | spectral absolute diviation from Barysz matrix weighted by polarizability | |
| 749 | SpMAD_Dzp | BaryszMatrix (‘p’, ‘SpMAD’) |
2D | spectral mean absolute diviation from Barysz matrix weighted by polarizability | |
| 750 | LogEE_Dzp | BaryszMatrix (‘p’, ‘LogEE’) |
2D | Estrada-like index from Barysz matrix weighted by polarizability | |
| 751 | SM1_Dzp | BaryszMatrix (‘p’, ‘SM1’) |
2D | spectral moment from Barysz matrix weighted by polarizability | |
| 752 | VE1_Dzp | BaryszMatrix (‘p’, ‘VE1’) |
2D | coefficient sum of the last eigenvector from Barysz matrix weighted by polarizability | |
| 753 | VE2_Dzp | BaryszMatrix (‘p’, ‘VE2’) |
2D | average coefficient of the last eigenvector from Barysz matrix weighted by polarizability | |
| 754 | VE3_Dzp | BaryszMatrix (‘p’, ‘VE3’) |
2D | logarithmic coefficient sum of the last eigenvector from Barysz matrix weighted by polarizability | |
| 755 | VR1_Dzp | BaryszMatrix (‘p’, ‘VR1’) |
2D | Randic-like eigenvector-based index from Barysz matrix weighted by polarizability | |
| 756 | VR2_Dzp | BaryszMatrix (‘p’, ‘VR2’) |
2D | normalized Randic-like eigenvector-based index from Barysz matrix weighted by polarizability | |
| 757 | VR3_Dzp | BaryszMatrix (‘p’, ‘VR3’) |
2D | logarithmic Randic-like eigenvector-based index from Barysz matrix weighted by polarizability | |
| 758 | SpAbs_Dzi | BaryszMatrix (‘i’, ‘SpAbs’) |
2D | graph energy from Barysz matrix weighted by ionization potential | |
| 759 | SpMax_Dzi | BaryszMatrix (‘i’, ‘SpMax’) |
2D | leading eigenvalue from Barysz matrix weighted by ionization potential | |
| 760 | SpDiam_Dzi | BaryszMatrix (‘i’, ‘SpDiam’) |
2D | spectral diamiter from Barysz matrix weighted by ionization potential | |
| 761 | SpAD_Dzi | BaryszMatrix (‘i’, ‘SpAD’) |
2D | spectral absolute diviation from Barysz matrix weighted by ionization potential | |
| 762 | SpMAD_Dzi | BaryszMatrix (‘i’, ‘SpMAD’) |
2D | spectral mean absolute diviation from Barysz matrix weighted by ionization potential | |
| 763 | LogEE_Dzi | BaryszMatrix (‘i’, ‘LogEE’) |
2D | Estrada-like index from Barysz matrix weighted by ionization potential | |
| 764 | SM1_Dzi | BaryszMatrix (‘i’, ‘SM1’) |
2D | spectral moment from Barysz matrix weighted by ionization potential | |
| 765 | VE1_Dzi | BaryszMatrix (‘i’, ‘VE1’) |
2D | coefficient sum of the last eigenvector from Barysz matrix weighted by ionization potential | |
| 766 | VE2_Dzi | BaryszMatrix (‘i’, ‘VE2’) |
2D | average coefficient of the last eigenvector from Barysz matrix weighted by ionization potential | |
| 767 | VE3_Dzi | BaryszMatrix (‘i’, ‘VE3’) |
2D | logarithmic coefficient sum of the last eigenvector from Barysz matrix weighted by ionization potential | |
| 768 | VR1_Dzi | BaryszMatrix (‘i’, ‘VR1’) |
2D | Randic-like eigenvector-based index from Barysz matrix weighted by ionization potential | |
| 769 | VR2_Dzi | BaryszMatrix (‘i’, ‘VR2’) |
2D | normalized Randic-like eigenvector-based index from Barysz matrix weighted by ionization potential | |
| 770 | VR3_Dzi | BaryszMatrix (‘i’, ‘VR3’) |
2D | logarithmic Randic-like eigenvector-based index from Barysz matrix weighted by ionization potential | |
| 771 | BertzCT |
BertzCT | BertzCT () |
2D | Bertz CT |
| 772 | BondCount |
nBonds | BondCount (‘any’, False) |
2D | number of all bonds in non-kekulized structure |
| 773 | nBondsO | BondCount (‘heavy’, False) |
2D | number of bonds connecting to heavy atom in non-kekulized structure | |
| 774 | nBondsS | BondCount (‘single’, False) |
2D | number of single bonds in non-kekulized structure | |
| 775 | nBondsD | BondCount (‘double’, False) |
2D | number of double bonds in non-kekulized structure | |
| 776 | nBondsT | BondCount (‘triple’, False) |
2D | number of triple bonds in non-kekulized structure | |
| 777 | nBondsA | BondCount (‘aromatic’, False) |
2D | number of aromatic bonds in non-kekulized structure | |
| 778 | nBondsM | BondCount (‘multiple’, False) |
2D | number of multiple bonds in non-kekulized structure | |
| 779 | nBondsKS | BondCount (‘single’, True) |
2D | number of single bonds in kekulized structure | |
| 780 | nBondsKD | BondCount (‘double’, True) |
2D | number of double bonds in kekulized structure | |
| 781 | CPSA |
PNSA1 | PNSA (1) |
3D | partial negative surface area (version 1) |
| 782 | PNSA2 | PNSA (2) |
3D | partial negative surface area (version 2) | |
| 783 | PNSA3 | PNSA (3) |
3D | partial negative surface area (version 3) | |
| 784 | PNSA4 | PNSA (4) |
3D | partial negative surface area (version 4) | |
| 785 | PNSA5 | PNSA (5) |
3D | partial negative surface area (version 5) | |
| 786 | PPSA1 | PPSA (1) |
3D | partial positive surface area (version 1) | |
| 787 | PPSA2 | PPSA (2) |
3D | partial positive surface area (version 2) | |
| 788 | PPSA3 | PPSA (3) |
3D | partial positive surface area (version 3) | |
| 789 | PPSA4 | PPSA (4) |
3D | partial positive surface area (version 4) | |
| 790 | PPSA5 | PPSA (5) |
3D | partial positive surface area (version 5) | |
| 791 | DPSA1 | DPSA (1) |
3D | difference in charged partial surface area (version 1) | |
| 792 | DPSA2 | DPSA (2) |
3D | difference in charged partial surface area (version 2) | |
| 793 | DPSA3 | DPSA (3) |
3D | difference in charged partial surface area (version 3) | |
| 794 | DPSA4 | DPSA (4) |
3D | difference in charged partial surface area (version 4) | |
| 795 | DPSA5 | DPSA (5) |
3D | difference in charged partial surface area (version 5) | |
| 796 | FNSA1 | FNSA (1) |
3D | fractional charged partial negative surface area (version 1) | |
| 797 | FNSA2 | FNSA (2) |
3D | fractional charged partial negative surface area (version 2) | |
| 798 | FNSA3 | FNSA (3) |
3D | fractional charged partial negative surface area (version 3) | |
| 799 | FNSA4 | FNSA (4) |
3D | fractional charged partial negative surface area (version 4) | |
| 800 | FNSA5 | FNSA (5) |
3D | fractional charged partial negative surface area (version 5) | |
| 801 | FPSA1 | FPSA (1) |
3D | fractional charged partial positive surface area (version 1) | |
| 802 | FPSA2 | FPSA (2) |
3D | fractional charged partial positive surface area (version 2) | |
| 803 | FPSA3 | FPSA (3) |
3D | fractional charged partial positive surface area (version 3) | |
| 804 | FPSA4 | FPSA (4) |
3D | fractional charged partial positive surface area (version 4) | |
| 805 | FPSA5 | FPSA (5) |
3D | fractional charged partial positive surface area (version 5) | |
| 806 | WNSA1 | WNSA (1) |
3D | surface weighted charged partial negative surface area (version 1) | |
| 807 | WNSA2 | WNSA (2) |
3D | surface weighted charged partial negative surface area (version 2) | |
| 808 | WNSA3 | WNSA (3) |
3D | surface weighted charged partial negative surface area (version 3) | |
| 809 | WNSA4 | WNSA (4) |
3D | surface weighted charged partial negative surface area (version 4) | |
| 810 | WNSA5 | WNSA (5) |
3D | surface weighted charged partial negative surface area (version 5) | |
| 811 | WPSA1 | WPSA (1) |
3D | surface weighted charged partial positive surface area (version 1) | |
| 812 | WPSA2 | WPSA (2) |
3D | surface weighted charged partial positive surface area (version 2) | |
| 813 | WPSA3 | WPSA (3) |
3D | surface weighted charged partial positive surface area (version 3) | |
| 814 | WPSA4 | WPSA (4) |
3D | surface weighted charged partial positive surface area (version 4) | |
| 815 | WPSA5 | WPSA (5) |
3D | surface weighted charged partial positive surface area (version 5) | |
| 816 | RNCG | RNCG () |
2D | relative negative charge | |
| 817 | RPCG | RPCG () |
2D | relative positive charge | |
| 818 | RNCS | RNCS () |
3D | relative negative charge surface area | |
| 819 | RPCS | RPCS () |
3D | relative positive charge surface area | |
| 820 | TASA | TASA () |
3D | total hydrophobic surface area | |
| 821 | TPSA | TPSA () |
3D | total polar surface area | |
| 822 | RASA | RASA () |
3D | relative hydrophobic surface area | |
| 823 | RPSA | RPSA () |
3D | relative polar surface area | |
| 824 | CarbonTypes |
C1SP1 | CarbonTypes (1, 1) |
2D | SP carbon bound to 1 other carbon |
| 825 | C2SP1 | CarbonTypes (2, 1) |
2D | SP carbon bound to 2 other carbons | |
| 826 | C1SP2 | CarbonTypes (1, 2) |
2D | SP2 carbon bound to 1 other carbon | |
| 827 | C2SP2 | CarbonTypes (2, 2) |
2D | SP2 carbon bound to 2 other carbons | |
| 828 | C3SP2 | CarbonTypes (3, 2) |
2D | SP2 carbon bound to 3 other carbons | |
| 829 | C1SP3 | CarbonTypes (1, 3) |
2D | SP3 carbon bound to 1 other carbon | |
| 830 | C2SP3 | CarbonTypes (2, 3) |
2D | SP3 carbon bound to 2 other carbons | |
| 831 | C3SP3 | CarbonTypes (3, 3) |
2D | SP3 carbon bound to 3 other carbons | |
| 832 | C4SP3 | CarbonTypes (4, 3) |
2D | SP3 carbon bound to 4 other carbons | |
| 833 | HybRatio | HybridizationRatio () |
2D | hybridization ratio | |
| 834 | Chi |
Xch-3d | Chi (‘chain’, 3, ‘d’, False) |
2D | 3-ordered Chi chain weighted by sigma electrons |
| 835 | Xch-4d | Chi (‘chain’, 4, ‘d’, False) |
2D | 4-ordered Chi chain weighted by sigma electrons | |
| 836 | Xch-5d | Chi (‘chain’, 5, ‘d’, False) |
2D | 5-ordered Chi chain weighted by sigma electrons | |
| 837 | Xch-6d | Chi (‘chain’, 6, ‘d’, False) |
2D | 6-ordered Chi chain weighted by sigma electrons | |
| 838 | Xch-7d | Chi (‘chain’, 7, ‘d’, False) |
2D | 7-ordered Chi chain weighted by sigma electrons | |
| 839 | Xch-3dv | Chi (‘chain’, 3, ‘dv’, False) |
2D | 3-ordered Chi chain weighted by valence electrons | |
| 840 | Xch-4dv | Chi (‘chain’, 4, ‘dv’, False) |
2D | 4-ordered Chi chain weighted by valence electrons | |
| 841 | Xch-5dv | Chi (‘chain’, 5, ‘dv’, False) |
2D | 5-ordered Chi chain weighted by valence electrons | |
| 842 | Xch-6dv | Chi (‘chain’, 6, ‘dv’, False) |
2D | 6-ordered Chi chain weighted by valence electrons | |
| 843 | Xch-7dv | Chi (‘chain’, 7, ‘dv’, False) |
2D | 7-ordered Chi chain weighted by valence electrons | |
| 844 | Xc-3d | Chi (‘cluster’, 3, ‘d’, False) |
2D | 3-ordered Chi cluster weighted by sigma electrons | |
| 845 | Xc-4d | Chi (‘cluster’, 4, ‘d’, False) |
2D | 4-ordered Chi cluster weighted by sigma electrons | |
| 846 | Xc-5d | Chi (‘cluster’, 5, ‘d’, False) |
2D | 5-ordered Chi cluster weighted by sigma electrons | |
| 847 | Xc-6d | Chi (‘cluster’, 6, ‘d’, False) |
2D | 6-ordered Chi cluster weighted by sigma electrons | |
| 848 | Xc-3dv | Chi (‘cluster’, 3, ‘dv’, False) |
2D | 3-ordered Chi cluster weighted by valence electrons | |
| 849 | Xc-4dv | Chi (‘cluster’, 4, ‘dv’, False) |
2D | 4-ordered Chi cluster weighted by valence electrons | |
| 850 | Xc-5dv | Chi (‘cluster’, 5, ‘dv’, False) |
2D | 5-ordered Chi cluster weighted by valence electrons | |
| 851 | Xc-6dv | Chi (‘cluster’, 6, ‘dv’, False) |
2D | 6-ordered Chi cluster weighted by valence electrons | |
| 852 | Xpc-4d | Chi (‘path_cluster’, 4, ‘d’, False) |
2D | 4-ordered Chi path-cluster weighted by sigma electrons | |
| 853 | Xpc-5d | Chi (‘path_cluster’, 5, ‘d’, False) |
2D | 5-ordered Chi path-cluster weighted by sigma electrons | |
| 854 | Xpc-6d | Chi (‘path_cluster’, 6, ‘d’, False) |
2D | 6-ordered Chi path-cluster weighted by sigma electrons | |
| 855 | Xpc-4dv | Chi (‘path_cluster’, 4, ‘dv’, False) |
2D | 4-ordered Chi path-cluster weighted by valence electrons | |
| 856 | Xpc-5dv | Chi (‘path_cluster’, 5, ‘dv’, False) |
2D | 5-ordered Chi path-cluster weighted by valence electrons | |
| 857 | Xpc-6dv | Chi (‘path_cluster’, 6, ‘dv’, False) |
2D | 6-ordered Chi path-cluster weighted by valence electrons | |
| 858 | Xp-0d | Chi (‘path’, 0, ‘d’, False) |
2D | 0-ordered Chi path weighted by sigma electrons | |
| 859 | Xp-1d | Chi (‘path’, 1, ‘d’, False) |
2D | 1-ordered Chi path weighted by sigma electrons | |
| 860 | Xp-2d | Chi (‘path’, 2, ‘d’, False) |
2D | 2-ordered Chi path weighted by sigma electrons | |
| 861 | Xp-3d | Chi (‘path’, 3, ‘d’, False) |
2D | 3-ordered Chi path weighted by sigma electrons | |
| 862 | Xp-4d | Chi (‘path’, 4, ‘d’, False) |
2D | 4-ordered Chi path weighted by sigma electrons | |
| 863 | Xp-5d | Chi (‘path’, 5, ‘d’, False) |
2D | 5-ordered Chi path weighted by sigma electrons | |
| 864 | Xp-6d | Chi (‘path’, 6, ‘d’, False) |
2D | 6-ordered Chi path weighted by sigma electrons | |
| 865 | Xp-7d | Chi (‘path’, 7, ‘d’, False) |
2D | 7-ordered Chi path weighted by sigma electrons | |
| 866 | AXp-0d | Chi (‘path’, 0, ‘d’, True) |
2D | 0-ordered averaged Chi path weighted by sigma electrons | |
| 867 | AXp-1d | Chi (‘path’, 1, ‘d’, True) |
2D | 1-ordered averaged Chi path weighted by sigma electrons | |
| 868 | AXp-2d | Chi (‘path’, 2, ‘d’, True) |
2D | 2-ordered averaged Chi path weighted by sigma electrons | |
| 869 | AXp-3d | Chi (‘path’, 3, ‘d’, True) |
2D | 3-ordered averaged Chi path weighted by sigma electrons | |
| 870 | AXp-4d | Chi (‘path’, 4, ‘d’, True) |
2D | 4-ordered averaged Chi path weighted by sigma electrons | |
| 871 | AXp-5d | Chi (‘path’, 5, ‘d’, True) |
2D | 5-ordered averaged Chi path weighted by sigma electrons | |
| 872 | AXp-6d | Chi (‘path’, 6, ‘d’, True) |
2D | 6-ordered averaged Chi path weighted by sigma electrons | |
| 873 | AXp-7d | Chi (‘path’, 7, ‘d’, True) |
2D | 7-ordered averaged Chi path weighted by sigma electrons | |
| 874 | Xp-0dv | Chi (‘path’, 0, ‘dv’, False) |
2D | 0-ordered Chi path weighted by valence electrons | |
| 875 | Xp-1dv | Chi (‘path’, 1, ‘dv’, False) |
2D | 1-ordered Chi path weighted by valence electrons | |
| 876 | Xp-2dv | Chi (‘path’, 2, ‘dv’, False) |
2D | 2-ordered Chi path weighted by valence electrons | |
| 877 | Xp-3dv | Chi (‘path’, 3, ‘dv’, False) |
2D | 3-ordered Chi path weighted by valence electrons | |
| 878 | Xp-4dv | Chi (‘path’, 4, ‘dv’, False) |
2D | 4-ordered Chi path weighted by valence electrons | |
| 879 | Xp-5dv | Chi (‘path’, 5, ‘dv’, False) |
2D | 5-ordered Chi path weighted by valence electrons | |
| 880 | Xp-6dv | Chi (‘path’, 6, ‘dv’, False) |
2D | 6-ordered Chi path weighted by valence electrons | |
| 881 | Xp-7dv | Chi (‘path’, 7, ‘dv’, False) |
2D | 7-ordered Chi path weighted by valence electrons | |
| 882 | AXp-0dv | Chi (‘path’, 0, ‘dv’, True) |
2D | 0-ordered averaged Chi path weighted by valence electrons | |
| 883 | AXp-1dv | Chi (‘path’, 1, ‘dv’, True) |
2D | 1-ordered averaged Chi path weighted by valence electrons | |
| 884 | AXp-2dv | Chi (‘path’, 2, ‘dv’, True) |
2D | 2-ordered averaged Chi path weighted by valence electrons | |
| 885 | AXp-3dv | Chi (‘path’, 3, ‘dv’, True) |
2D | 3-ordered averaged Chi path weighted by valence electrons | |
| 886 | AXp-4dv | Chi (‘path’, 4, ‘dv’, True) |
2D | 4-ordered averaged Chi path weighted by valence electrons | |
| 887 | AXp-5dv | Chi (‘path’, 5, ‘dv’, True) |
2D | 5-ordered averaged Chi path weighted by valence electrons | |
| 888 | AXp-6dv | Chi (‘path’, 6, ‘dv’, True) |
2D | 6-ordered averaged Chi path weighted by valence electrons | |
| 889 | AXp-7dv | Chi (‘path’, 7, ‘dv’, True) |
2D | 7-ordered averaged Chi path weighted by valence electrons | |
| 890 | Constitutional |
SZ | ConstitutionalSum (‘Z’) |
2D | sum of constitutional weighted by atomic number |
| 891 | Sm | ConstitutionalSum (‘m’) |
2D | sum of constitutional weighted by mass | |
| 892 | Sv | ConstitutionalSum (‘v’) |
2D | sum of constitutional weighted by vdw volume | |
| 893 | Sse | ConstitutionalSum (‘se’) |
2D | sum of constitutional weighted by sanderson EN | |
| 894 | Spe | ConstitutionalSum (‘pe’) |
2D | sum of constitutional weighted by pauling EN | |
| 895 | Sare | ConstitutionalSum (‘are’) |
2D | sum of constitutional weighted by allred-rocow EN | |
| 896 | Sp | ConstitutionalSum (‘p’) |
2D | sum of constitutional weighted by polarizability | |
| 897 | Si | ConstitutionalSum (‘i’) |
2D | sum of constitutional weighted by ionization potential | |
| 898 | MZ | ConstitutionalMean (‘Z’) |
2D | mean of constitutional weighted by atomic number | |
| 899 | Mm | ConstitutionalMean (‘m’) |
2D | mean of constitutional weighted by mass | |
| 900 | Mv | ConstitutionalMean (‘v’) |
2D | mean of constitutional weighted by vdw volume | |
| 901 | Mse | ConstitutionalMean (‘se’) |
2D | mean of constitutional weighted by sanderson EN | |
| 902 | Mpe | ConstitutionalMean (‘pe’) |
2D | mean of constitutional weighted by pauling EN | |
| 903 | Mare | ConstitutionalMean (‘are’) |
2D | mean of constitutional weighted by allred-rocow EN | |
| 904 | Mp | ConstitutionalMean (‘p’) |
2D | mean of constitutional weighted by polarizability | |
| 905 | Mi | ConstitutionalMean (‘i’) |
2D | mean of constitutional weighted by ionization potential | |
| 906 | DetourMatrix |
SpAbs_Dt | DetourMatrix (‘SpAbs’) |
2D | graph energy from detourn matrix |
| 907 | SpMax_Dt | DetourMatrix (‘SpMax’) |
2D | leading eigenvalue from detourn matrix | |
| 908 | SpDiam_Dt | DetourMatrix (‘SpDiam’) |
2D | spectral diamiter from detourn matrix | |
| 909 | SpAD_Dt | DetourMatrix (‘SpAD’) |
2D | spectral absolute diviation from detourn matrix | |
| 910 | SpMAD_Dt | DetourMatrix (‘SpMAD’) |
2D | spectral mean absolute diviation from detourn matrix | |
| 911 | LogEE_Dt | DetourMatrix (‘LogEE’) |
2D | Estrada-like index from detourn matrix | |
| 912 | SM1_Dt | DetourMatrix (‘SM1’) |
2D | spectral moment from detourn matrix | |
| 913 | VE1_Dt | DetourMatrix (‘VE1’) |
2D | coefficient sum of the last eigenvector from detourn matrix | |
| 914 | VE2_Dt | DetourMatrix (‘VE2’) |
2D | average coefficient of the last eigenvector from detourn matrix | |
| 915 | VE3_Dt | DetourMatrix (‘VE3’) |
2D | logarithmic coefficient sum of the last eigenvector from detourn matrix | |
| 916 | VR1_Dt | DetourMatrix (‘VR1’) |
2D | Randic-like eigenvector-based index from detourn matrix | |
| 917 | VR2_Dt | DetourMatrix (‘VR2’) |
2D | normalized Randic-like eigenvector-based index from detourn matrix | |
| 918 | VR3_Dt | DetourMatrix (‘VR3’) |
2D | logarithmic Randic-like eigenvector-based index from detourn matrix | |
| 919 | DetourIndex | DetourIndex () |
2D | detour index | |
| 920 | DistanceMatrix |
SpAbs_D | DistanceMatrix (‘SpAbs’) |
2D | graph energy from distance matrix |
| 921 | SpMax_D | DistanceMatrix (‘SpMax’) |
2D | leading eigenvalue from distance matrix | |
| 922 | SpDiam_D | DistanceMatrix (‘SpDiam’) |
2D | spectral diamiter from distance matrix | |
| 923 | SpAD_D | DistanceMatrix (‘SpAD’) |
2D | spectral absolute diviation from distance matrix | |
| 924 | SpMAD_D | DistanceMatrix (‘SpMAD’) |
2D | spectral mean absolute diviation from distance matrix | |
| 925 | LogEE_D | DistanceMatrix (‘LogEE’) |
2D | Estrada-like index from distance matrix | |
| 926 | SM1_D | DistanceMatrix (‘SM1’) |
2D | spectral moment from distance matrix | |
| 927 | VE1_D | DistanceMatrix (‘VE1’) |
2D | coefficient sum of the last eigenvector from distance matrix | |
| 928 | VE2_D | DistanceMatrix (‘VE2’) |
2D | average coefficient of the last eigenvector from distance matrix | |
| 929 | VE3_D | DistanceMatrix (‘VE3’) |
2D | logarithmic coefficient sum of the last eigenvector from distance matrix | |
| 930 | VR1_D | DistanceMatrix (‘VR1’) |
2D | Randic-like eigenvector-based index from distance matrix | |
| 931 | VR2_D | DistanceMatrix (‘VR2’) |
2D | normalized Randic-like eigenvector-based index from distance matrix | |
| 932 | VR3_D | DistanceMatrix (‘VR3’) |
2D | logarithmic Randic-like eigenvector-based index from distance matrix | |
| 933 | EState |
NsLi | AtomTypeEState (‘count’, ‘sLi’) |
2D | number of sLi |
| 934 | NssBe | AtomTypeEState (‘count’, ‘ssBe’) |
2D | number of ssBe | |
| 935 | NssssBe | AtomTypeEState (‘count’, ‘ssssBe’) |
2D | number of ssssBe | |
| 936 | NssBH | AtomTypeEState (‘count’, ‘ssBH’) |
2D | number of ssBH | |
| 937 | NsssB | AtomTypeEState (‘count’, ‘sssB’) |
2D | number of sssB | |
| 938 | NssssB | AtomTypeEState (‘count’, ‘ssssB’) |
2D | number of ssssB | |
| 939 | NsCH3 | AtomTypeEState (‘count’, ‘sCH3’) |
2D | number of sCH3 | |
| 940 | NdCH2 | AtomTypeEState (‘count’, ‘dCH2’) |
2D | number of dCH2 | |
| 941 | NssCH2 | AtomTypeEState (‘count’, ‘ssCH2’) |
2D | number of ssCH2 | |
| 942 | NtCH | AtomTypeEState (‘count’, ‘tCH’) |
2D | number of tCH | |
| 943 | NdsCH | AtomTypeEState (‘count’, ‘dsCH’) |
2D | number of dsCH | |
| 944 | NaaCH | AtomTypeEState (‘count’, ‘aaCH’) |
2D | number of aaCH | |
| 945 | NsssCH | AtomTypeEState (‘count’, ‘sssCH’) |
2D | number of sssCH | |
| 946 | NddC | AtomTypeEState (‘count’, ‘ddC’) |
2D | number of ddC | |
| 947 | NtsC | AtomTypeEState (‘count’, ‘tsC’) |
2D | number of tsC | |
| 948 | NdssC | AtomTypeEState (‘count’, ‘dssC’) |
2D | number of dssC | |
| 949 | NaasC | AtomTypeEState (‘count’, ‘aasC’) |
2D | number of aasC | |
| 950 | NaaaC | AtomTypeEState (‘count’, ‘aaaC’) |
2D | number of aaaC | |
| 951 | NssssC | AtomTypeEState (‘count’, ‘ssssC’) |
2D | number of ssssC | |
| 952 | NsNH3 | AtomTypeEState (‘count’, ‘sNH3’) |
2D | number of sNH3 | |
| 953 | NsNH2 | AtomTypeEState (‘count’, ‘sNH2’) |
2D | number of sNH2 | |
| 954 | NssNH2 | AtomTypeEState (‘count’, ‘ssNH2’) |
2D | number of ssNH2 | |
| 955 | NdNH | AtomTypeEState (‘count’, ‘dNH’) |
2D | number of dNH | |
| 956 | NssNH | AtomTypeEState (‘count’, ‘ssNH’) |
2D | number of ssNH | |
| 957 | NaaNH | AtomTypeEState (‘count’, ‘aaNH’) |
2D | number of aaNH | |
| 958 | NtN | AtomTypeEState (‘count’, ‘tN’) |
2D | number of tN | |
| 959 | NsssNH | AtomTypeEState (‘count’, ‘sssNH’) |
2D | number of sssNH | |
| 960 | NdsN | AtomTypeEState (‘count’, ‘dsN’) |
2D | number of dsN | |
| 961 | NaaN | AtomTypeEState (‘count’, ‘aaN’) |
2D | number of aaN | |
| 962 | NsssN | AtomTypeEState (‘count’, ‘sssN’) |
2D | number of sssN | |
| 963 | NddsN | AtomTypeEState (‘count’, ‘ddsN’) |
2D | number of ddsN | |
| 964 | NaasN | AtomTypeEState (‘count’, ‘aasN’) |
2D | number of aasN | |
| 965 | NssssN | AtomTypeEState (‘count’, ‘ssssN’) |
2D | number of ssssN | |
| 966 | NsOH | AtomTypeEState (‘count’, ‘sOH’) |
2D | number of sOH | |
| 967 | NdO | AtomTypeEState (‘count’, ‘dO’) |
2D | number of dO | |
| 968 | NssO | AtomTypeEState (‘count’, ‘ssO’) |
2D | number of ssO | |
| 969 | NaaO | AtomTypeEState (‘count’, ‘aaO’) |
2D | number of aaO | |
| 970 | NsF | AtomTypeEState (‘count’, ‘sF’) |
2D | number of sF | |
| 971 | NsSiH3 | AtomTypeEState (‘count’, ‘sSiH3’) |
2D | number of sSiH3 | |
| 972 | NssSiH2 | AtomTypeEState (‘count’, ‘ssSiH2’) |
2D | number of ssSiH2 | |
| 973 | NsssSiH | AtomTypeEState (‘count’, ‘sssSiH’) |
2D | number of sssSiH | |
| 974 | NssssSi | AtomTypeEState (‘count’, ‘ssssSi’) |
2D | number of ssssSi | |
| 975 | NsPH2 | AtomTypeEState (‘count’, ‘sPH2’) |
2D | number of sPH2 | |
| 976 | NssPH | AtomTypeEState (‘count’, ‘ssPH’) |
2D | number of ssPH | |
| 977 | NsssP | AtomTypeEState (‘count’, ‘sssP’) |
2D | number of sssP | |
| 978 | NdsssP | AtomTypeEState (‘count’, ‘dsssP’) |
2D | number of dsssP | |
| 979 | NsssssP | AtomTypeEState (‘count’, ‘sssssP’) |
2D | number of sssssP | |
| 980 | NsSH | AtomTypeEState (‘count’, ‘sSH’) |
2D | number of sSH | |
| 981 | NdS | AtomTypeEState (‘count’, ‘dS’) |
2D | number of dS | |
| 982 | NssS | AtomTypeEState (‘count’, ‘ssS’) |
2D | number of ssS | |
| 983 | NaaS | AtomTypeEState (‘count’, ‘aaS’) |
2D | number of aaS | |
| 984 | NdssS | AtomTypeEState (‘count’, ‘dssS’) |
2D | number of dssS | |
| 985 | NddssS | AtomTypeEState (‘count’, ‘ddssS’) |
2D | number of ddssS | |
| 986 | NsCl | AtomTypeEState (‘count’, ‘sCl’) |
2D | number of sCl | |
| 987 | NsGeH3 | AtomTypeEState (‘count’, ‘sGeH3’) |
2D | number of sGeH3 | |
| 988 | NssGeH2 | AtomTypeEState (‘count’, ‘ssGeH2’) |
2D | number of ssGeH2 | |
| 989 | NsssGeH | AtomTypeEState (‘count’, ‘sssGeH’) |
2D | number of sssGeH | |
| 990 | NssssGe | AtomTypeEState (‘count’, ‘ssssGe’) |
2D | number of ssssGe | |
| 991 | NsAsH2 | AtomTypeEState (‘count’, ‘sAsH2’) |
2D | number of sAsH2 | |
| 992 | NssAsH | AtomTypeEState (‘count’, ‘ssAsH’) |
2D | number of ssAsH | |
| 993 | NsssAs | AtomTypeEState (‘count’, ‘sssAs’) |
2D | number of sssAs | |
| 994 | NsssdAs | AtomTypeEState (‘count’, ‘sssdAs’) |
2D | number of sssdAs | |
| 995 | NsssssAs | AtomTypeEState (‘count’, ‘sssssAs’) |
2D | number of sssssAs | |
| 996 | NsSeH | AtomTypeEState (‘count’, ‘sSeH’) |
2D | number of sSeH | |
| 997 | NdSe | AtomTypeEState (‘count’, ‘dSe’) |
2D | number of dSe | |
| 998 | NssSe | AtomTypeEState (‘count’, ‘ssSe’) |
2D | number of ssSe | |
| 999 | NaaSe | AtomTypeEState (‘count’, ‘aaSe’) |
2D | number of aaSe | |
| 1000 | NdssSe | AtomTypeEState (‘count’, ‘dssSe’) |
2D | number of dssSe | |
| 1001 | NddssSe | AtomTypeEState (‘count’, ‘ddssSe’) |
2D | number of ddssSe | |
| 1002 | NsBr | AtomTypeEState (‘count’, ‘sBr’) |
2D | number of sBr | |
| 1003 | NsSnH3 | AtomTypeEState (‘count’, ‘sSnH3’) |
2D | number of sSnH3 | |
| 1004 | NssSnH2 | AtomTypeEState (‘count’, ‘ssSnH2’) |
2D | number of ssSnH2 | |
| 1005 | NsssSnH | AtomTypeEState (‘count’, ‘sssSnH’) |
2D | number of sssSnH | |
| 1006 | NssssSn | AtomTypeEState (‘count’, ‘ssssSn’) |
2D | number of ssssSn | |
| 1007 | NsI | AtomTypeEState (‘count’, ‘sI’) |
2D | number of sI | |
| 1008 | NsPbH3 | AtomTypeEState (‘count’, ‘sPbH3’) |
2D | number of sPbH3 | |
| 1009 | NssPbH2 | AtomTypeEState (‘count’, ‘ssPbH2’) |
2D | number of ssPbH2 | |
| 1010 | NsssPbH | AtomTypeEState (‘count’, ‘sssPbH’) |
2D | number of sssPbH | |
| 1011 | NssssPb | AtomTypeEState (‘count’, ‘ssssPb’) |
2D | number of ssssPb | |
| 1012 | SsLi | AtomTypeEState (‘sum’, ‘sLi’) |
2D | sum of sLi | |
| 1013 | SssBe | AtomTypeEState (‘sum’, ‘ssBe’) |
2D | sum of ssBe | |
| 1014 | SssssBe | AtomTypeEState (‘sum’, ‘ssssBe’) |
2D | sum of ssssBe | |
| 1015 | SssBH | AtomTypeEState (‘sum’, ‘ssBH’) |
2D | sum of ssBH | |
| 1016 | SsssB | AtomTypeEState (‘sum’, ‘sssB’) |
2D | sum of sssB | |
| 1017 | SssssB | AtomTypeEState (‘sum’, ‘ssssB’) |
2D | sum of ssssB | |
| 1018 | SsCH3 | AtomTypeEState (‘sum’, ‘sCH3’) |
2D | sum of sCH3 | |
| 1019 | SdCH2 | AtomTypeEState (‘sum’, ‘dCH2’) |
2D | sum of dCH2 | |
| 1020 | SssCH2 | AtomTypeEState (‘sum’, ‘ssCH2’) |
2D | sum of ssCH2 | |
| 1021 | StCH | AtomTypeEState (‘sum’, ‘tCH’) |
2D | sum of tCH | |
| 1022 | SdsCH | AtomTypeEState (‘sum’, ‘dsCH’) |
2D | sum of dsCH | |
| 1023 | SaaCH | AtomTypeEState (‘sum’, ‘aaCH’) |
2D | sum of aaCH | |
| 1024 | SsssCH | AtomTypeEState (‘sum’, ‘sssCH’) |
2D | sum of sssCH | |
| 1025 | SddC | AtomTypeEState (‘sum’, ‘ddC’) |
2D | sum of ddC | |
| 1026 | StsC | AtomTypeEState (‘sum’, ‘tsC’) |
2D | sum of tsC | |
| 1027 | SdssC | AtomTypeEState (‘sum’, ‘dssC’) |
2D | sum of dssC | |
| 1028 | SaasC | AtomTypeEState (‘sum’, ‘aasC’) |
2D | sum of aasC | |
| 1029 | SaaaC | AtomTypeEState (‘sum’, ‘aaaC’) |
2D | sum of aaaC | |
| 1030 | SssssC | AtomTypeEState (‘sum’, ‘ssssC’) |
2D | sum of ssssC | |
| 1031 | SsNH3 | AtomTypeEState (‘sum’, ‘sNH3’) |
2D | sum of sNH3 | |
| 1032 | SsNH2 | AtomTypeEState (‘sum’, ‘sNH2’) |
2D | sum of sNH2 | |
| 1033 | SssNH2 | AtomTypeEState (‘sum’, ‘ssNH2’) |
2D | sum of ssNH2 | |
| 1034 | SdNH | AtomTypeEState (‘sum’, ‘dNH’) |
2D | sum of dNH | |
| 1035 | SssNH | AtomTypeEState (‘sum’, ‘ssNH’) |
2D | sum of ssNH | |
| 1036 | SaaNH | AtomTypeEState (‘sum’, ‘aaNH’) |
2D | sum of aaNH | |
| 1037 | StN | AtomTypeEState (‘sum’, ‘tN’) |
2D | sum of tN | |
| 1038 | SsssNH | AtomTypeEState (‘sum’, ‘sssNH’) |
2D | sum of sssNH | |
| 1039 | SdsN | AtomTypeEState (‘sum’, ‘dsN’) |
2D | sum of dsN | |
| 1040 | SaaN | AtomTypeEState (‘sum’, ‘aaN’) |
2D | sum of aaN | |
| 1041 | SsssN | AtomTypeEState (‘sum’, ‘sssN’) |
2D | sum of sssN | |
| 1042 | SddsN | AtomTypeEState (‘sum’, ‘ddsN’) |
2D | sum of ddsN | |
| 1043 | SaasN | AtomTypeEState (‘sum’, ‘aasN’) |
2D | sum of aasN | |
| 1044 | SssssN | AtomTypeEState (‘sum’, ‘ssssN’) |
2D | sum of ssssN | |
| 1045 | SsOH | AtomTypeEState (‘sum’, ‘sOH’) |
2D | sum of sOH | |
| 1046 | SdO | AtomTypeEState (‘sum’, ‘dO’) |
2D | sum of dO | |
| 1047 | SssO | AtomTypeEState (‘sum’, ‘ssO’) |
2D | sum of ssO | |
| 1048 | SaaO | AtomTypeEState (‘sum’, ‘aaO’) |
2D | sum of aaO | |
| 1049 | SsF | AtomTypeEState (‘sum’, ‘sF’) |
2D | sum of sF | |
| 1050 | SsSiH3 | AtomTypeEState (‘sum’, ‘sSiH3’) |
2D | sum of sSiH3 | |
| 1051 | SssSiH2 | AtomTypeEState (‘sum’, ‘ssSiH2’) |
2D | sum of ssSiH2 | |
| 1052 | SsssSiH | AtomTypeEState (‘sum’, ‘sssSiH’) |
2D | sum of sssSiH | |
| 1053 | SssssSi | AtomTypeEState (‘sum’, ‘ssssSi’) |
2D | sum of ssssSi | |
| 1054 | SsPH2 | AtomTypeEState (‘sum’, ‘sPH2’) |
2D | sum of sPH2 | |
| 1055 | SssPH | AtomTypeEState (‘sum’, ‘ssPH’) |
2D | sum of ssPH | |
| 1056 | SsssP | AtomTypeEState (‘sum’, ‘sssP’) |
2D | sum of sssP | |
| 1057 | SdsssP | AtomTypeEState (‘sum’, ‘dsssP’) |
2D | sum of dsssP | |
| 1058 | SsssssP | AtomTypeEState (‘sum’, ‘sssssP’) |
2D | sum of sssssP | |
| 1059 | SsSH | AtomTypeEState (‘sum’, ‘sSH’) |
2D | sum of sSH | |
| 1060 | SdS | AtomTypeEState (‘sum’, ‘dS’) |
2D | sum of dS | |
| 1061 | SssS | AtomTypeEState (‘sum’, ‘ssS’) |
2D | sum of ssS | |
| 1062 | SaaS | AtomTypeEState (‘sum’, ‘aaS’) |
2D | sum of aaS | |
| 1063 | SdssS | AtomTypeEState (‘sum’, ‘dssS’) |
2D | sum of dssS | |
| 1064 | SddssS | AtomTypeEState (‘sum’, ‘ddssS’) |
2D | sum of ddssS | |
| 1065 | SsCl | AtomTypeEState (‘sum’, ‘sCl’) |
2D | sum of sCl | |
| 1066 | SsGeH3 | AtomTypeEState (‘sum’, ‘sGeH3’) |
2D | sum of sGeH3 | |
| 1067 | SssGeH2 | AtomTypeEState (‘sum’, ‘ssGeH2’) |
2D | sum of ssGeH2 | |
| 1068 | SsssGeH | AtomTypeEState (‘sum’, ‘sssGeH’) |
2D | sum of sssGeH | |
| 1069 | SssssGe | AtomTypeEState (‘sum’, ‘ssssGe’) |
2D | sum of ssssGe | |
| 1070 | SsAsH2 | AtomTypeEState (‘sum’, ‘sAsH2’) |
2D | sum of sAsH2 | |
| 1071 | SssAsH | AtomTypeEState (‘sum’, ‘ssAsH’) |
2D | sum of ssAsH | |
| 1072 | SsssAs | AtomTypeEState (‘sum’, ‘sssAs’) |
2D | sum of sssAs | |
| 1073 | SsssdAs | AtomTypeEState (‘sum’, ‘sssdAs’) |
2D | sum of sssdAs | |
| 1074 | SsssssAs | AtomTypeEState (‘sum’, ‘sssssAs’) |
2D | sum of sssssAs | |
| 1075 | SsSeH | AtomTypeEState (‘sum’, ‘sSeH’) |
2D | sum of sSeH | |
| 1076 | SdSe | AtomTypeEState (‘sum’, ‘dSe’) |
2D | sum of dSe | |
| 1077 | SssSe | AtomTypeEState (‘sum’, ‘ssSe’) |
2D | sum of ssSe | |
| 1078 | SaaSe | AtomTypeEState (‘sum’, ‘aaSe’) |
2D | sum of aaSe | |
| 1079 | SdssSe | AtomTypeEState (‘sum’, ‘dssSe’) |
2D | sum of dssSe | |
| 1080 | SddssSe | AtomTypeEState (‘sum’, ‘ddssSe’) |
2D | sum of ddssSe | |
| 1081 | SsBr | AtomTypeEState (‘sum’, ‘sBr’) |
2D | sum of sBr | |
| 1082 | SsSnH3 | AtomTypeEState (‘sum’, ‘sSnH3’) |
2D | sum of sSnH3 | |
| 1083 | SssSnH2 | AtomTypeEState (‘sum’, ‘ssSnH2’) |
2D | sum of ssSnH2 | |
| 1084 | SsssSnH | AtomTypeEState (‘sum’, ‘sssSnH’) |
2D | sum of sssSnH | |
| 1085 | SssssSn | AtomTypeEState (‘sum’, ‘ssssSn’) |
2D | sum of ssssSn | |
| 1086 | SsI | AtomTypeEState (‘sum’, ‘sI’) |
2D | sum of sI | |
| 1087 | SsPbH3 | AtomTypeEState (‘sum’, ‘sPbH3’) |
2D | sum of sPbH3 | |
| 1088 | SssPbH2 | AtomTypeEState (‘sum’, ‘ssPbH2’) |
2D | sum of ssPbH2 | |
| 1089 | SsssPbH | AtomTypeEState (‘sum’, ‘sssPbH’) |
2D | sum of sssPbH | |
| 1090 | SssssPb | AtomTypeEState (‘sum’, ‘ssssPb’) |
2D | sum of ssssPb | |
| 1091 | MAXsLi | AtomTypeEState (‘max’, ‘sLi’) |
2D | max of sLi | |
| 1092 | MAXssBe | AtomTypeEState (‘max’, ‘ssBe’) |
2D | max of ssBe | |
| 1093 | MAXssssBe | AtomTypeEState (‘max’, ‘ssssBe’) |
2D | max of ssssBe | |
| 1094 | MAXssBH | AtomTypeEState (‘max’, ‘ssBH’) |
2D | max of ssBH | |
| 1095 | MAXsssB | AtomTypeEState (‘max’, ‘sssB’) |
2D | max of sssB | |
| 1096 | MAXssssB | AtomTypeEState (‘max’, ‘ssssB’) |
2D | max of ssssB | |
| 1097 | MAXsCH3 | AtomTypeEState (‘max’, ‘sCH3’) |
2D | max of sCH3 | |
| 1098 | MAXdCH2 | AtomTypeEState (‘max’, ‘dCH2’) |
2D | max of dCH2 | |
| 1099 | MAXssCH2 | AtomTypeEState (‘max’, ‘ssCH2’) |
2D | max of ssCH2 | |
| 1100 | MAXtCH | AtomTypeEState (‘max’, ‘tCH’) |
2D | max of tCH | |
| 1101 | MAXdsCH | AtomTypeEState (‘max’, ‘dsCH’) |
2D | max of dsCH | |
| 1102 | MAXaaCH | AtomTypeEState (‘max’, ‘aaCH’) |
2D | max of aaCH | |
| 1103 | MAXsssCH | AtomTypeEState (‘max’, ‘sssCH’) |
2D | max of sssCH | |
| 1104 | MAXddC | AtomTypeEState (‘max’, ‘ddC’) |
2D | max of ddC | |
| 1105 | MAXtsC | AtomTypeEState (‘max’, ‘tsC’) |
2D | max of tsC | |
| 1106 | MAXdssC | AtomTypeEState (‘max’, ‘dssC’) |
2D | max of dssC | |
| 1107 | MAXaasC | AtomTypeEState (‘max’, ‘aasC’) |
2D | max of aasC | |
| 1108 | MAXaaaC | AtomTypeEState (‘max’, ‘aaaC’) |
2D | max of aaaC | |
| 1109 | MAXssssC | AtomTypeEState (‘max’, ‘ssssC’) |
2D | max of ssssC | |
| 1110 | MAXsNH3 | AtomTypeEState (‘max’, ‘sNH3’) |
2D | max of sNH3 | |
| 1111 | MAXsNH2 | AtomTypeEState (‘max’, ‘sNH2’) |
2D | max of sNH2 | |
| 1112 | MAXssNH2 | AtomTypeEState (‘max’, ‘ssNH2’) |
2D | max of ssNH2 | |
| 1113 | MAXdNH | AtomTypeEState (‘max’, ‘dNH’) |
2D | max of dNH | |
| 1114 | MAXssNH | AtomTypeEState (‘max’, ‘ssNH’) |
2D | max of ssNH | |
| 1115 | MAXaaNH | AtomTypeEState (‘max’, ‘aaNH’) |
2D | max of aaNH | |
| 1116 | MAXtN | AtomTypeEState (‘max’, ‘tN’) |
2D | max of tN | |
| 1117 | MAXsssNH | AtomTypeEState (‘max’, ‘sssNH’) |
2D | max of sssNH | |
| 1118 | MAXdsN | AtomTypeEState (‘max’, ‘dsN’) |
2D | max of dsN | |
| 1119 | MAXaaN | AtomTypeEState (‘max’, ‘aaN’) |
2D | max of aaN | |
| 1120 | MAXsssN | AtomTypeEState (‘max’, ‘sssN’) |
2D | max of sssN | |
| 1121 | MAXddsN | AtomTypeEState (‘max’, ‘ddsN’) |
2D | max of ddsN | |
| 1122 | MAXaasN | AtomTypeEState (‘max’, ‘aasN’) |
2D | max of aasN | |
| 1123 | MAXssssN | AtomTypeEState (‘max’, ‘ssssN’) |
2D | max of ssssN | |
| 1124 | MAXsOH | AtomTypeEState (‘max’, ‘sOH’) |
2D | max of sOH | |
| 1125 | MAXdO | AtomTypeEState (‘max’, ‘dO’) |
2D | max of dO | |
| 1126 | MAXssO | AtomTypeEState (‘max’, ‘ssO’) |
2D | max of ssO | |
| 1127 | MAXaaO | AtomTypeEState (‘max’, ‘aaO’) |
2D | max of aaO | |
| 1128 | MAXsF | AtomTypeEState (‘max’, ‘sF’) |
2D | max of sF | |
| 1129 | MAXsSiH3 | AtomTypeEState (‘max’, ‘sSiH3’) |
2D | max of sSiH3 | |
| 1130 | MAXssSiH2 | AtomTypeEState (‘max’, ‘ssSiH2’) |
2D | max of ssSiH2 | |
| 1131 | MAXsssSiH | AtomTypeEState (‘max’, ‘sssSiH’) |
2D | max of sssSiH | |
| 1132 | MAXssssSi | AtomTypeEState (‘max’, ‘ssssSi’) |
2D | max of ssssSi | |
| 1133 | MAXsPH2 | AtomTypeEState (‘max’, ‘sPH2’) |
2D | max of sPH2 | |
| 1134 | MAXssPH | AtomTypeEState (‘max’, ‘ssPH’) |
2D | max of ssPH | |
| 1135 | MAXsssP | AtomTypeEState (‘max’, ‘sssP’) |
2D | max of sssP | |
| 1136 | MAXdsssP | AtomTypeEState (‘max’, ‘dsssP’) |
2D | max of dsssP | |
| 1137 | MAXsssssP | AtomTypeEState (‘max’, ‘sssssP’) |
2D | max of sssssP | |
| 1138 | MAXsSH | AtomTypeEState (‘max’, ‘sSH’) |
2D | max of sSH | |
| 1139 | MAXdS | AtomTypeEState (‘max’, ‘dS’) |
2D | max of dS | |
| 1140 | MAXssS | AtomTypeEState (‘max’, ‘ssS’) |
2D | max of ssS | |
| 1141 | MAXaaS | AtomTypeEState (‘max’, ‘aaS’) |
2D | max of aaS | |
| 1142 | MAXdssS | AtomTypeEState (‘max’, ‘dssS’) |
2D | max of dssS | |
| 1143 | MAXddssS | AtomTypeEState (‘max’, ‘ddssS’) |
2D | max of ddssS | |
| 1144 | MAXsCl | AtomTypeEState (‘max’, ‘sCl’) |
2D | max of sCl | |
| 1145 | MAXsGeH3 | AtomTypeEState (‘max’, ‘sGeH3’) |
2D | max of sGeH3 | |
| 1146 | MAXssGeH2 | AtomTypeEState (‘max’, ‘ssGeH2’) |
2D | max of ssGeH2 | |
| 1147 | MAXsssGeH | AtomTypeEState (‘max’, ‘sssGeH’) |
2D | max of sssGeH | |
| 1148 | MAXssssGe | AtomTypeEState (‘max’, ‘ssssGe’) |
2D | max of ssssGe | |
| 1149 | MAXsAsH2 | AtomTypeEState (‘max’, ‘sAsH2’) |
2D | max of sAsH2 | |
| 1150 | MAXssAsH | AtomTypeEState (‘max’, ‘ssAsH’) |
2D | max of ssAsH | |
| 1151 | MAXsssAs | AtomTypeEState (‘max’, ‘sssAs’) |
2D | max of sssAs | |
| 1152 | MAXsssdAs | AtomTypeEState (‘max’, ‘sssdAs’) |
2D | max of sssdAs | |
| 1153 | MAXsssssAs | AtomTypeEState (‘max’, ‘sssssAs’) |
2D | max of sssssAs | |
| 1154 | MAXsSeH | AtomTypeEState (‘max’, ‘sSeH’) |
2D | max of sSeH | |
| 1155 | MAXdSe | AtomTypeEState (‘max’, ‘dSe’) |
2D | max of dSe | |
| 1156 | MAXssSe | AtomTypeEState (‘max’, ‘ssSe’) |
2D | max of ssSe | |
| 1157 | MAXaaSe | AtomTypeEState (‘max’, ‘aaSe’) |
2D | max of aaSe | |
| 1158 | MAXdssSe | AtomTypeEState (‘max’, ‘dssSe’) |
2D | max of dssSe | |
| 1159 | MAXddssSe | AtomTypeEState (‘max’, ‘ddssSe’) |
2D | max of ddssSe | |
| 1160 | MAXsBr | AtomTypeEState (‘max’, ‘sBr’) |
2D | max of sBr | |
| 1161 | MAXsSnH3 | AtomTypeEState (‘max’, ‘sSnH3’) |
2D | max of sSnH3 | |
| 1162 | MAXssSnH2 | AtomTypeEState (‘max’, ‘ssSnH2’) |
2D | max of ssSnH2 | |
| 1163 | MAXsssSnH | AtomTypeEState (‘max’, ‘sssSnH’) |
2D | max of sssSnH | |
| 1164 | MAXssssSn | AtomTypeEState (‘max’, ‘ssssSn’) |
2D | max of ssssSn | |
| 1165 | MAXsI | AtomTypeEState (‘max’, ‘sI’) |
2D | max of sI | |
| 1166 | MAXsPbH3 | AtomTypeEState (‘max’, ‘sPbH3’) |
2D | max of sPbH3 | |
| 1167 | MAXssPbH2 | AtomTypeEState (‘max’, ‘ssPbH2’) |
2D | max of ssPbH2 | |
| 1168 | MAXsssPbH | AtomTypeEState (‘max’, ‘sssPbH’) |
2D | max of sssPbH | |
| 1169 | MAXssssPb | AtomTypeEState (‘max’, ‘ssssPb’) |
2D | max of ssssPb | |
| 1170 | MINsLi | AtomTypeEState (‘min’, ‘sLi’) |
2D | min of sLi | |
| 1171 | MINssBe | AtomTypeEState (‘min’, ‘ssBe’) |
2D | min of ssBe | |
| 1172 | MINssssBe | AtomTypeEState (‘min’, ‘ssssBe’) |
2D | min of ssssBe | |
| 1173 | MINssBH | AtomTypeEState (‘min’, ‘ssBH’) |
2D | min of ssBH | |
| 1174 | MINsssB | AtomTypeEState (‘min’, ‘sssB’) |
2D | min of sssB | |
| 1175 | MINssssB | AtomTypeEState (‘min’, ‘ssssB’) |
2D | min of ssssB | |
| 1176 | MINsCH3 | AtomTypeEState (‘min’, ‘sCH3’) |
2D | min of sCH3 | |
| 1177 | MINdCH2 | AtomTypeEState (‘min’, ‘dCH2’) |
2D | min of dCH2 | |
| 1178 | MINssCH2 | AtomTypeEState (‘min’, ‘ssCH2’) |
2D | min of ssCH2 | |
| 1179 | MINtCH | AtomTypeEState (‘min’, ‘tCH’) |
2D | min of tCH | |
| 1180 | MINdsCH | AtomTypeEState (‘min’, ‘dsCH’) |
2D | min of dsCH | |
| 1181 | MINaaCH | AtomTypeEState (‘min’, ‘aaCH’) |
2D | min of aaCH | |
| 1182 | MINsssCH | AtomTypeEState (‘min’, ‘sssCH’) |
2D | min of sssCH | |
| 1183 | MINddC | AtomTypeEState (‘min’, ‘ddC’) |
2D | min of ddC | |
| 1184 | MINtsC | AtomTypeEState (‘min’, ‘tsC’) |
2D | min of tsC | |
| 1185 | MINdssC | AtomTypeEState (‘min’, ‘dssC’) |
2D | min of dssC | |
| 1186 | MINaasC | AtomTypeEState (‘min’, ‘aasC’) |
2D | min of aasC | |
| 1187 | MINaaaC | AtomTypeEState (‘min’, ‘aaaC’) |
2D | min of aaaC | |
| 1188 | MINssssC | AtomTypeEState (‘min’, ‘ssssC’) |
2D | min of ssssC | |
| 1189 | MINsNH3 | AtomTypeEState (‘min’, ‘sNH3’) |
2D | min of sNH3 | |
| 1190 | MINsNH2 | AtomTypeEState (‘min’, ‘sNH2’) |
2D | min of sNH2 | |
| 1191 | MINssNH2 | AtomTypeEState (‘min’, ‘ssNH2’) |
2D | min of ssNH2 | |
| 1192 | MINdNH | AtomTypeEState (‘min’, ‘dNH’) |
2D | min of dNH | |
| 1193 | MINssNH | AtomTypeEState (‘min’, ‘ssNH’) |
2D | min of ssNH | |
| 1194 | MINaaNH | AtomTypeEState (‘min’, ‘aaNH’) |
2D | min of aaNH | |
| 1195 | MINtN | AtomTypeEState (‘min’, ‘tN’) |
2D | min of tN | |
| 1196 | MINsssNH | AtomTypeEState (‘min’, ‘sssNH’) |
2D | min of sssNH | |
| 1197 | MINdsN | AtomTypeEState (‘min’, ‘dsN’) |
2D | min of dsN | |
| 1198 | MINaaN | AtomTypeEState (‘min’, ‘aaN’) |
2D | min of aaN | |
| 1199 | MINsssN | AtomTypeEState (‘min’, ‘sssN’) |
2D | min of sssN | |
| 1200 | MINddsN | AtomTypeEState (‘min’, ‘ddsN’) |
2D | min of ddsN | |
| 1201 | MINaasN | AtomTypeEState (‘min’, ‘aasN’) |
2D | min of aasN | |
| 1202 | MINssssN | AtomTypeEState (‘min’, ‘ssssN’) |
2D | min of ssssN | |
| 1203 | MINsOH | AtomTypeEState (‘min’, ‘sOH’) |
2D | min of sOH | |
| 1204 | MINdO | AtomTypeEState (‘min’, ‘dO’) |
2D | min of dO | |
| 1205 | MINssO | AtomTypeEState (‘min’, ‘ssO’) |
2D | min of ssO | |
| 1206 | MINaaO | AtomTypeEState (‘min’, ‘aaO’) |
2D | min of aaO | |
| 1207 | MINsF | AtomTypeEState (‘min’, ‘sF’) |
2D | min of sF | |
| 1208 | MINsSiH3 | AtomTypeEState (‘min’, ‘sSiH3’) |
2D | min of sSiH3 | |
| 1209 | MINssSiH2 | AtomTypeEState (‘min’, ‘ssSiH2’) |
2D | min of ssSiH2 | |
| 1210 | MINsssSiH | AtomTypeEState (‘min’, ‘sssSiH’) |
2D | min of sssSiH | |
| 1211 | MINssssSi | AtomTypeEState (‘min’, ‘ssssSi’) |
2D | min of ssssSi | |
| 1212 | MINsPH2 | AtomTypeEState (‘min’, ‘sPH2’) |
2D | min of sPH2 | |
| 1213 | MINssPH | AtomTypeEState (‘min’, ‘ssPH’) |
2D | min of ssPH | |
| 1214 | MINsssP | AtomTypeEState (‘min’, ‘sssP’) |
2D | min of sssP | |
| 1215 | MINdsssP | AtomTypeEState (‘min’, ‘dsssP’) |
2D | min of dsssP | |
| 1216 | MINsssssP | AtomTypeEState (‘min’, ‘sssssP’) |
2D | min of sssssP | |
| 1217 | MINsSH | AtomTypeEState (‘min’, ‘sSH’) |
2D | min of sSH | |
| 1218 | MINdS | AtomTypeEState (‘min’, ‘dS’) |
2D | min of dS | |
| 1219 | MINssS | AtomTypeEState (‘min’, ‘ssS’) |
2D | min of ssS | |
| 1220 | MINaaS | AtomTypeEState (‘min’, ‘aaS’) |
2D | min of aaS | |
| 1221 | MINdssS | AtomTypeEState (‘min’, ‘dssS’) |
2D | min of dssS | |
| 1222 | MINddssS | AtomTypeEState (‘min’, ‘ddssS’) |
2D | min of ddssS | |
| 1223 | MINsCl | AtomTypeEState (‘min’, ‘sCl’) |
2D | min of sCl | |
| 1224 | MINsGeH3 | AtomTypeEState (‘min’, ‘sGeH3’) |
2D | min of sGeH3 | |
| 1225 | MINssGeH2 | AtomTypeEState (‘min’, ‘ssGeH2’) |
2D | min of ssGeH2 | |
| 1226 | MINsssGeH | AtomTypeEState (‘min’, ‘sssGeH’) |
2D | min of sssGeH | |
| 1227 | MINssssGe | AtomTypeEState (‘min’, ‘ssssGe’) |
2D | min of ssssGe | |
| 1228 | MINsAsH2 | AtomTypeEState (‘min’, ‘sAsH2’) |
2D | min of sAsH2 | |
| 1229 | MINssAsH | AtomTypeEState (‘min’, ‘ssAsH’) |
2D | min of ssAsH | |
| 1230 | MINsssAs | AtomTypeEState (‘min’, ‘sssAs’) |
2D | min of sssAs | |
| 1231 | MINsssdAs | AtomTypeEState (‘min’, ‘sssdAs’) |
2D | min of sssdAs | |
| 1232 | MINsssssAs | AtomTypeEState (‘min’, ‘sssssAs’) |
2D | min of sssssAs | |
| 1233 | MINsSeH | AtomTypeEState (‘min’, ‘sSeH’) |
2D | min of sSeH | |
| 1234 | MINdSe | AtomTypeEState (‘min’, ‘dSe’) |
2D | min of dSe | |
| 1235 | MINssSe | AtomTypeEState (‘min’, ‘ssSe’) |
2D | min of ssSe | |
| 1236 | MINaaSe | AtomTypeEState (‘min’, ‘aaSe’) |
2D | min of aaSe | |
| 1237 | MINdssSe | AtomTypeEState (‘min’, ‘dssSe’) |
2D | min of dssSe | |
| 1238 | MINddssSe | AtomTypeEState (‘min’, ‘ddssSe’) |
2D | min of ddssSe | |
| 1239 | MINsBr | AtomTypeEState (‘min’, ‘sBr’) |
2D | min of sBr | |
| 1240 | MINsSnH3 | AtomTypeEState (‘min’, ‘sSnH3’) |
2D | min of sSnH3 | |
| 1241 | MINssSnH2 | AtomTypeEState (‘min’, ‘ssSnH2’) |
2D | min of ssSnH2 | |
| 1242 | MINsssSnH | AtomTypeEState (‘min’, ‘sssSnH’) |
2D | min of sssSnH | |
| 1243 | MINssssSn | AtomTypeEState (‘min’, ‘ssssSn’) |
2D | min of ssssSn | |
| 1244 | MINsI | AtomTypeEState (‘min’, ‘sI’) |
2D | min of sI | |
| 1245 | MINsPbH3 | AtomTypeEState (‘min’, ‘sPbH3’) |
2D | min of sPbH3 | |
| 1246 | MINssPbH2 | AtomTypeEState (‘min’, ‘ssPbH2’) |
2D | min of ssPbH2 | |
| 1247 | MINsssPbH | AtomTypeEState (‘min’, ‘sssPbH’) |
2D | min of sssPbH | |
| 1248 | MINssssPb | AtomTypeEState (‘min’, ‘ssssPb’) |
2D | min of ssssPb | |
| 1249 | EccentricConnectivityIndex |
ECIndex | EccentricConnectivityIndex () |
2D | eccentric connectivity index |
| 1250 | ExtendedTopochemicalAtom |
ETA_alpha | EtaCoreCount (False, False) |
2D | ETA core count |
| 1251 | AETA_alpha | EtaCoreCount (True, False) |
2D | averaged ETA core count | |
| 1252 | ETA_shape_p | EtaShapeIndex (‘p’) |
2D | ETA shape index (type: p) | |
| 1253 | ETA_shape_y | EtaShapeIndex (‘y’) |
2D | ETA shape index (type: y) | |
| 1254 | ETA_shape_x | EtaShapeIndex (‘x’) |
2D | ETA shape index (type: x) | |
| 1255 | ETA_beta | EtaVEMCount (‘’, False) |
2D | valence electron mobile count | |
| 1256 | AETA_beta | EtaVEMCount (‘’, True) |
2D | averaged valence electron mobile count | |
| 1257 | ETA_beta_s | EtaVEMCount (‘s’, False) |
2D | sigma contribution to valence electron mobile count | |
| 1258 | AETA_beta_s | EtaVEMCount (‘s’, True) |
2D | averaged sigma contribution to valence electron mobile count | |
| 1259 | ETA_beta_ns | EtaVEMCount (‘ns’, False) |
2D | nonsigma contribution to valence electron mobile count | |
| 1260 | AETA_beta_ns | EtaVEMCount (‘ns’, True) |
2D | averaged nonsigma contribution to valence electron mobile count | |
| 1261 | ETA_beta_ns_d | EtaVEMCount (‘ns_d’, False) |
2D | delta contribution to valence electron mobile count | |
| 1262 | AETA_beta_ns_d | EtaVEMCount (‘ns_d’, True) |
2D | averaged delta contribution to valence electron mobile count | |
| 1263 | ETA_eta | EtaCompositeIndex (False, False, False) |
2D | ETA composite index for reference graph | |
| 1264 | AETA_eta | EtaCompositeIndex (False, False, True) |
2D | averaged ETA composite index for reference graph | |
| 1265 | ETA_eta_L | EtaCompositeIndex (False, True, False) |
2D | local ETA composite index for reference graph | |
| 1266 | AETA_eta_L | EtaCompositeIndex (False, True, True) |
2D | averaged local ETA composite index for reference graph | |
| 1267 | ETA_eta_R | EtaCompositeIndex (True, False, False) |
2D | ETA composite index for reference graph | |
| 1268 | AETA_eta_R | EtaCompositeIndex (True, False, True) |
2D | averaged ETA composite index for reference graph | |
| 1269 | ETA_eta_RL | EtaCompositeIndex (True, True, False) |
2D | local ETA composite index for reference graph | |
| 1270 | AETA_eta_RL | EtaCompositeIndex (True, True, True) |
2D | averaged local ETA composite index for reference graph | |
| 1271 | ETA_eta_F | EtaFunctionalityIndex (False, False) |
2D | ETA functionality index | |
| 1272 | AETA_eta_F | EtaFunctionalityIndex (False, True) |
2D | averaged ETA functionality index | |
| 1273 | ETA_eta_FL | EtaFunctionalityIndex (True, False) |
2D | local ETA functionality index | |
| 1274 | AETA_eta_FL | EtaFunctionalityIndex (True, True) |
2D | averaged local ETA functionality index | |
| 1275 | ETA_eta_B | EtaBranchingIndex (False, False) |
2D | ETA branching index | |
| 1276 | AETA_eta_B | EtaBranchingIndex (False, True) |
2D | averaged ETA branching index | |
| 1277 | ETA_eta_BR | EtaBranchingIndex (True, False) |
2D | ETA branching index (use ring count) | |
| 1278 | AETA_eta_BR | EtaBranchingIndex (True, True) |
2D | averaged ETA branching index (use ring count) | |
| 1279 | ETA_dAlpha_A | EtaDeltaAlpha (‘A’) |
2D | ETA delta alpha (type: A) | |
| 1280 | ETA_dAlpha_B | EtaDeltaAlpha (‘B’) |
2D | ETA delta alpha (type: B) | |
| 1281 | ETA_epsilon_1 | EtaEpsilon (1) |
2D | ETA epsilon (type: 1) | |
| 1282 | ETA_epsilon_2 | EtaEpsilon (2) |
2D | ETA epsilon (type: 2) | |
| 1283 | ETA_epsilon_3 | EtaEpsilon (3) |
2D | ETA epsilon (type: 3) | |
| 1284 | ETA_epsilon_4 | EtaEpsilon (4) |
2D | ETA epsilon (type: 4) | |
| 1285 | ETA_epsilon_5 | EtaEpsilon (5) |
2D | ETA epsilon (type: 5) | |
| 1286 | ETA_dEpsilon_A | EtaDeltaEpsilon (‘A’) |
2D | ETA delta epsilon (type: A) | |
| 1287 | ETA_dEpsilon_B | EtaDeltaEpsilon (‘B’) |
2D | ETA delta epsilon (type: B) | |
| 1288 | ETA_dEpsilon_C | EtaDeltaEpsilon (‘C’) |
2D | ETA delta epsilon (type: C) | |
| 1289 | ETA_dEpsilon_D | EtaDeltaEpsilon (‘D’) |
2D | ETA delta epsilon (type: D) | |
| 1290 | ETA_dBeta | EtaDeltaBeta (False) |
2D | ETA delta beta | |
| 1291 | AETA_dBeta | EtaDeltaBeta (True) |
2D | averaged ETA delta beta | |
| 1292 | ETA_psi_1 | EtaPsi () |
2D | ETA psi | |
| 1293 | ETA_dPsi_A | EtaDeltaPsi (‘A’) |
2D | ETA delta psi (type: A) | |
| 1294 | ETA_dPsi_B | EtaDeltaPsi (‘B’) |
2D | ETA delta psi (type: B) | |
| 1295 | FragmentComplexity |
fragCpx | FragmentComplexity () |
2D | fragment complexity |
| 1296 | Framework |
fMF | Framework () |
2D | molecular framework ratio |
| 1297 | GeometricalIndex |
GeomDiameter | Diameter3D () |
3D | geometric diameter |
| 1298 | GeomRadius | Radius3D () |
3D | geometric radius | |
| 1299 | GeomShapeIndex | GeometricalShapeIndex () |
3D | geometrical shape index | |
| 1300 | GeomPetitjeanIndex | PetitjeanIndex3D () |
3D | geometric Petitjean index | |
| 1301 | GravitationalIndex |
GRAV | GravitationalIndex (True, False) |
3D | heavy atom gravitational index |
| 1302 | GRAVH | GravitationalIndex (False, False) |
3D | gravitational index | |
| 1303 | GRAVp | GravitationalIndex (True, True) |
3D | heavy atom pair gravitational index | |
| 1304 | GRAVHp | GravitationalIndex (False, True) |
3D | pair gravitational index | |
| 1305 | HydrogenBond |
nHBAcc | HBondAcceptor () |
2D | number of hydrogen bond acceptor |
| 1306 | nHBDon | HBondDonor () |
2D | number of hydrogen bond donor | |
| 1307 | InformationContent |
IC0 | InformationContent (0) |
2D | 0-ordered neighborhood information content |
| 1308 | IC1 | InformationContent (1) |
2D | 1-ordered neighborhood information content | |
| 1309 | IC2 | InformationContent (2) |
2D | 2-ordered neighborhood information content | |
| 1310 | IC3 | InformationContent (3) |
2D | 3-ordered neighborhood information content | |
| 1311 | IC4 | InformationContent (4) |
2D | 4-ordered neighborhood information content | |
| 1312 | IC5 | InformationContent (5) |
2D | 5-ordered neighborhood information content | |
| 1313 | TIC0 | TotalIC (0) |
2D | 0-ordered neighborhood total information content | |
| 1314 | TIC1 | TotalIC (1) |
2D | 1-ordered neighborhood total information content | |
| 1315 | TIC2 | TotalIC (2) |
2D | 2-ordered neighborhood total information content | |
| 1316 | TIC3 | TotalIC (3) |
2D | 3-ordered neighborhood total information content | |
| 1317 | TIC4 | TotalIC (4) |
2D | 4-ordered neighborhood total information content | |
| 1318 | TIC5 | TotalIC (5) |
2D | 5-ordered neighborhood total information content | |
| 1319 | SIC0 | StructuralIC (0) |
2D | 0-ordered structural information content | |
| 1320 | SIC1 | StructuralIC (1) |
2D | 1-ordered structural information content | |
| 1321 | SIC2 | StructuralIC (2) |
2D | 2-ordered structural information content | |
| 1322 | SIC3 | StructuralIC (3) |
2D | 3-ordered structural information content | |
| 1323 | SIC4 | StructuralIC (4) |
2D | 4-ordered structural information content | |
| 1324 | SIC5 | StructuralIC (5) |
2D | 5-ordered structural information content | |
| 1325 | BIC0 | BondingIC (0) |
2D | 0-ordered bonding information content | |
| 1326 | BIC1 | BondingIC (1) |
2D | 1-ordered bonding information content | |
| 1327 | BIC2 | BondingIC (2) |
2D | 2-ordered bonding information content | |
| 1328 | BIC3 | BondingIC (3) |
2D | 3-ordered bonding information content | |
| 1329 | BIC4 | BondingIC (4) |
2D | 4-ordered bonding information content | |
| 1330 | BIC5 | BondingIC (5) |
2D | 5-ordered bonding information content | |
| 1331 | CIC0 | ComplementaryIC (0) |
2D | 0-ordered complementary information content | |
| 1332 | CIC1 | ComplementaryIC (1) |
2D | 1-ordered complementary information content | |
| 1333 | CIC2 | ComplementaryIC (2) |
2D | 2-ordered complementary information content | |
| 1334 | CIC3 | ComplementaryIC (3) |
2D | 3-ordered complementary information content | |
| 1335 | CIC4 | ComplementaryIC (4) |
2D | 4-ordered complementary information content | |
| 1336 | CIC5 | ComplementaryIC (5) |
2D | 5-ordered complementary information content | |
| 1337 | MIC0 | ModifiedIC (0) |
2D | 0-ordered modified information content | |
| 1338 | MIC1 | ModifiedIC (1) |
2D | 1-ordered modified information content | |
| 1339 | MIC2 | ModifiedIC (2) |
2D | 2-ordered modified information content | |
| 1340 | MIC3 | ModifiedIC (3) |
2D | 3-ordered modified information content | |
| 1341 | MIC4 | ModifiedIC (4) |
2D | 4-ordered modified information content | |
| 1342 | MIC5 | ModifiedIC (5) |
2D | 5-ordered modified information content | |
| 1343 | ZMIC0 | ZModifiedIC (0) |
2D | 0-ordered Z-modified information content | |
| 1344 | ZMIC1 | ZModifiedIC (1) |
2D | 1-ordered Z-modified information content | |
| 1345 | ZMIC2 | ZModifiedIC (2) |
2D | 2-ordered Z-modified information content | |
| 1346 | ZMIC3 | ZModifiedIC (3) |
2D | 3-ordered Z-modified information content | |
| 1347 | ZMIC4 | ZModifiedIC (4) |
2D | 4-ordered Z-modified information content | |
| 1348 | ZMIC5 | ZModifiedIC (5) |
2D | 5-ordered Z-modified information content | |
| 1349 | KappaShapeIndex |
Kier1 | KappaShapeIndex1 () |
2D | kappa shape index 1 |
| 1350 | Kier2 | KappaShapeIndex2 () |
2D | kappa shape index 2 | |
| 1351 | Kier3 | KappaShapeIndex3 () |
2D | kappa shape index 3 | |
| 1352 | Lipinski |
Lipinski | Lipinski () |
2D | Lipinski rule of five |
| 1353 | GhoseFilter | GhoseFilter () |
2D | Ghose filter | |
| 1354 | McGowanVolume |
VMcGowan | McGowanVolume () |
2D | McGowan volume |
| 1355 | MoRSE |
Mor01 | MoRSE (None, 1) |
3D | 3D-MoRSE (distance = 1) |
| 1356 | Mor02 | MoRSE (None, 2) |
3D | 3D-MoRSE (distance = 2) | |
| 1357 | Mor03 | MoRSE (None, 3) |
3D | 3D-MoRSE (distance = 3) | |
| 1358 | Mor04 | MoRSE (None, 4) |
3D | 3D-MoRSE (distance = 4) | |
| 1359 | Mor05 | MoRSE (None, 5) |
3D | 3D-MoRSE (distance = 5) | |
| 1360 | Mor06 | MoRSE (None, 6) |
3D | 3D-MoRSE (distance = 6) | |
| 1361 | Mor07 | MoRSE (None, 7) |
3D | 3D-MoRSE (distance = 7) | |
| 1362 | Mor08 | MoRSE (None, 8) |
3D | 3D-MoRSE (distance = 8) | |
| 1363 | Mor09 | MoRSE (None, 9) |
3D | 3D-MoRSE (distance = 9) | |
| 1364 | Mor10 | MoRSE (None, 10) |
3D | 3D-MoRSE (distance = 10) | |
| 1365 | Mor11 | MoRSE (None, 11) |
3D | 3D-MoRSE (distance = 11) | |
| 1366 | Mor12 | MoRSE (None, 12) |
3D | 3D-MoRSE (distance = 12) | |
| 1367 | Mor13 | MoRSE (None, 13) |
3D | 3D-MoRSE (distance = 13) | |
| 1368 | Mor14 | MoRSE (None, 14) |
3D | 3D-MoRSE (distance = 14) | |
| 1369 | Mor15 | MoRSE (None, 15) |
3D | 3D-MoRSE (distance = 15) | |
| 1370 | Mor16 | MoRSE (None, 16) |
3D | 3D-MoRSE (distance = 16) | |
| 1371 | Mor17 | MoRSE (None, 17) |
3D | 3D-MoRSE (distance = 17) | |
| 1372 | Mor18 | MoRSE (None, 18) |
3D | 3D-MoRSE (distance = 18) | |
| 1373 | Mor19 | MoRSE (None, 19) |
3D | 3D-MoRSE (distance = 19) | |
| 1374 | Mor20 | MoRSE (None, 20) |
3D | 3D-MoRSE (distance = 20) | |
| 1375 | Mor21 | MoRSE (None, 21) |
3D | 3D-MoRSE (distance = 21) | |
| 1376 | Mor22 | MoRSE (None, 22) |
3D | 3D-MoRSE (distance = 22) | |
| 1377 | Mor23 | MoRSE (None, 23) |
3D | 3D-MoRSE (distance = 23) | |
| 1378 | Mor24 | MoRSE (None, 24) |
3D | 3D-MoRSE (distance = 24) | |
| 1379 | Mor25 | MoRSE (None, 25) |
3D | 3D-MoRSE (distance = 25) | |
| 1380 | Mor26 | MoRSE (None, 26) |
3D | 3D-MoRSE (distance = 26) | |
| 1381 | Mor27 | MoRSE (None, 27) |
3D | 3D-MoRSE (distance = 27) | |
| 1382 | Mor28 | MoRSE (None, 28) |
3D | 3D-MoRSE (distance = 28) | |
| 1383 | Mor29 | MoRSE (None, 29) |
3D | 3D-MoRSE (distance = 29) | |
| 1384 | Mor30 | MoRSE (None, 30) |
3D | 3D-MoRSE (distance = 30) | |
| 1385 | Mor31 | MoRSE (None, 31) |
3D | 3D-MoRSE (distance = 31) | |
| 1386 | Mor32 | MoRSE (None, 32) |
3D | 3D-MoRSE (distance = 32) | |
| 1387 | Mor01m | MoRSE (‘m’, 1) |
3D | 3D-MoRSE weighted by mass (distance = 1) | |
| 1388 | Mor02m | MoRSE (‘m’, 2) |
3D | 3D-MoRSE weighted by mass (distance = 2) | |
| 1389 | Mor03m | MoRSE (‘m’, 3) |
3D | 3D-MoRSE weighted by mass (distance = 3) | |
| 1390 | Mor04m | MoRSE (‘m’, 4) |
3D | 3D-MoRSE weighted by mass (distance = 4) | |
| 1391 | Mor05m | MoRSE (‘m’, 5) |
3D | 3D-MoRSE weighted by mass (distance = 5) | |
| 1392 | Mor06m | MoRSE (‘m’, 6) |
3D | 3D-MoRSE weighted by mass (distance = 6) | |
| 1393 | Mor07m | MoRSE (‘m’, 7) |
3D | 3D-MoRSE weighted by mass (distance = 7) | |
| 1394 | Mor08m | MoRSE (‘m’, 8) |
3D | 3D-MoRSE weighted by mass (distance = 8) | |
| 1395 | Mor09m | MoRSE (‘m’, 9) |
3D | 3D-MoRSE weighted by mass (distance = 9) | |
| 1396 | Mor10m | MoRSE (‘m’, 10) |
3D | 3D-MoRSE weighted by mass (distance = 10) | |
| 1397 | Mor11m | MoRSE (‘m’, 11) |
3D | 3D-MoRSE weighted by mass (distance = 11) | |
| 1398 | Mor12m | MoRSE (‘m’, 12) |
3D | 3D-MoRSE weighted by mass (distance = 12) | |
| 1399 | Mor13m | MoRSE (‘m’, 13) |
3D | 3D-MoRSE weighted by mass (distance = 13) | |
| 1400 | Mor14m | MoRSE (‘m’, 14) |
3D | 3D-MoRSE weighted by mass (distance = 14) | |
| 1401 | Mor15m | MoRSE (‘m’, 15) |
3D | 3D-MoRSE weighted by mass (distance = 15) | |
| 1402 | Mor16m | MoRSE (‘m’, 16) |
3D | 3D-MoRSE weighted by mass (distance = 16) | |
| 1403 | Mor17m | MoRSE (‘m’, 17) |
3D | 3D-MoRSE weighted by mass (distance = 17) | |
| 1404 | Mor18m | MoRSE (‘m’, 18) |
3D | 3D-MoRSE weighted by mass (distance = 18) | |
| 1405 | Mor19m | MoRSE (‘m’, 19) |
3D | 3D-MoRSE weighted by mass (distance = 19) | |
| 1406 | Mor20m | MoRSE (‘m’, 20) |
3D | 3D-MoRSE weighted by mass (distance = 20) | |
| 1407 | Mor21m | MoRSE (‘m’, 21) |
3D | 3D-MoRSE weighted by mass (distance = 21) | |
| 1408 | Mor22m | MoRSE (‘m’, 22) |
3D | 3D-MoRSE weighted by mass (distance = 22) | |
| 1409 | Mor23m | MoRSE (‘m’, 23) |
3D | 3D-MoRSE weighted by mass (distance = 23) | |
| 1410 | Mor24m | MoRSE (‘m’, 24) |
3D | 3D-MoRSE weighted by mass (distance = 24) | |
| 1411 | Mor25m | MoRSE (‘m’, 25) |
3D | 3D-MoRSE weighted by mass (distance = 25) | |
| 1412 | Mor26m | MoRSE (‘m’, 26) |
3D | 3D-MoRSE weighted by mass (distance = 26) | |
| 1413 | Mor27m | MoRSE (‘m’, 27) |
3D | 3D-MoRSE weighted by mass (distance = 27) | |
| 1414 | Mor28m | MoRSE (‘m’, 28) |
3D | 3D-MoRSE weighted by mass (distance = 28) | |
| 1415 | Mor29m | MoRSE (‘m’, 29) |
3D | 3D-MoRSE weighted by mass (distance = 29) | |
| 1416 | Mor30m | MoRSE (‘m’, 30) |
3D | 3D-MoRSE weighted by mass (distance = 30) | |
| 1417 | Mor31m | MoRSE (‘m’, 31) |
3D | 3D-MoRSE weighted by mass (distance = 31) | |
| 1418 | Mor32m | MoRSE (‘m’, 32) |
3D | 3D-MoRSE weighted by mass (distance = 32) | |
| 1419 | Mor01v | MoRSE (‘v’, 1) |
3D | 3D-MoRSE weighted by vdw volume (distance = 1) | |
| 1420 | Mor02v | MoRSE (‘v’, 2) |
3D | 3D-MoRSE weighted by vdw volume (distance = 2) | |
| 1421 | Mor03v | MoRSE (‘v’, 3) |
3D | 3D-MoRSE weighted by vdw volume (distance = 3) | |
| 1422 | Mor04v | MoRSE (‘v’, 4) |
3D | 3D-MoRSE weighted by vdw volume (distance = 4) | |
| 1423 | Mor05v | MoRSE (‘v’, 5) |
3D | 3D-MoRSE weighted by vdw volume (distance = 5) | |
| 1424 | Mor06v | MoRSE (‘v’, 6) |
3D | 3D-MoRSE weighted by vdw volume (distance = 6) | |
| 1425 | Mor07v | MoRSE (‘v’, 7) |
3D | 3D-MoRSE weighted by vdw volume (distance = 7) | |
| 1426 | Mor08v | MoRSE (‘v’, 8) |
3D | 3D-MoRSE weighted by vdw volume (distance = 8) | |
| 1427 | Mor09v | MoRSE (‘v’, 9) |
3D | 3D-MoRSE weighted by vdw volume (distance = 9) | |
| 1428 | Mor10v | MoRSE (‘v’, 10) |
3D | 3D-MoRSE weighted by vdw volume (distance = 10) | |
| 1429 | Mor11v | MoRSE (‘v’, 11) |
3D | 3D-MoRSE weighted by vdw volume (distance = 11) | |
| 1430 | Mor12v | MoRSE (‘v’, 12) |
3D | 3D-MoRSE weighted by vdw volume (distance = 12) | |
| 1431 | Mor13v | MoRSE (‘v’, 13) |
3D | 3D-MoRSE weighted by vdw volume (distance = 13) | |
| 1432 | Mor14v | MoRSE (‘v’, 14) |
3D | 3D-MoRSE weighted by vdw volume (distance = 14) | |
| 1433 | Mor15v | MoRSE (‘v’, 15) |
3D | 3D-MoRSE weighted by vdw volume (distance = 15) | |
| 1434 | Mor16v | MoRSE (‘v’, 16) |
3D | 3D-MoRSE weighted by vdw volume (distance = 16) | |
| 1435 | Mor17v | MoRSE (‘v’, 17) |
3D | 3D-MoRSE weighted by vdw volume (distance = 17) | |
| 1436 | Mor18v | MoRSE (‘v’, 18) |
3D | 3D-MoRSE weighted by vdw volume (distance = 18) | |
| 1437 | Mor19v | MoRSE (‘v’, 19) |
3D | 3D-MoRSE weighted by vdw volume (distance = 19) | |
| 1438 | Mor20v | MoRSE (‘v’, 20) |
3D | 3D-MoRSE weighted by vdw volume (distance = 20) | |
| 1439 | Mor21v | MoRSE (‘v’, 21) |
3D | 3D-MoRSE weighted by vdw volume (distance = 21) | |
| 1440 | Mor22v | MoRSE (‘v’, 22) |
3D | 3D-MoRSE weighted by vdw volume (distance = 22) | |
| 1441 | Mor23v | MoRSE (‘v’, 23) |
3D | 3D-MoRSE weighted by vdw volume (distance = 23) | |
| 1442 | Mor24v | MoRSE (‘v’, 24) |
3D | 3D-MoRSE weighted by vdw volume (distance = 24) | |
| 1443 | Mor25v | MoRSE (‘v’, 25) |
3D | 3D-MoRSE weighted by vdw volume (distance = 25) | |
| 1444 | Mor26v | MoRSE (‘v’, 26) |
3D | 3D-MoRSE weighted by vdw volume (distance = 26) | |
| 1445 | Mor27v | MoRSE (‘v’, 27) |
3D | 3D-MoRSE weighted by vdw volume (distance = 27) | |
| 1446 | Mor28v | MoRSE (‘v’, 28) |
3D | 3D-MoRSE weighted by vdw volume (distance = 28) | |
| 1447 | Mor29v | MoRSE (‘v’, 29) |
3D | 3D-MoRSE weighted by vdw volume (distance = 29) | |
| 1448 | Mor30v | MoRSE (‘v’, 30) |
3D | 3D-MoRSE weighted by vdw volume (distance = 30) | |
| 1449 | Mor31v | MoRSE (‘v’, 31) |
3D | 3D-MoRSE weighted by vdw volume (distance = 31) | |
| 1450 | Mor32v | MoRSE (‘v’, 32) |
3D | 3D-MoRSE weighted by vdw volume (distance = 32) | |
| 1451 | Mor01se | MoRSE (‘se’, 1) |
3D | 3D-MoRSE weighted by sanderson EN (distance = 1) | |
| 1452 | Mor02se | MoRSE (‘se’, 2) |
3D | 3D-MoRSE weighted by sanderson EN (distance = 2) | |
| 1453 | Mor03se | MoRSE (‘se’, 3) |
3D | 3D-MoRSE weighted by sanderson EN (distance = 3) | |
| 1454 | Mor04se | MoRSE (‘se’, 4) |
3D | 3D-MoRSE weighted by sanderson EN (distance = 4) | |
| 1455 | Mor05se | MoRSE (‘se’, 5) |
3D | 3D-MoRSE weighted by sanderson EN (distance = 5) | |
| 1456 | Mor06se | MoRSE (‘se’, 6) |
3D | 3D-MoRSE weighted by sanderson EN (distance = 6) | |
| 1457 | Mor07se | MoRSE (‘se’, 7) |
3D | 3D-MoRSE weighted by sanderson EN (distance = 7) | |
| 1458 | Mor08se | MoRSE (‘se’, 8) |
3D | 3D-MoRSE weighted by sanderson EN (distance = 8) | |
| 1459 | Mor09se | MoRSE (‘se’, 9) |
3D | 3D-MoRSE weighted by sanderson EN (distance = 9) | |
| 1460 | Mor10se | MoRSE (‘se’, 10) |
3D | 3D-MoRSE weighted by sanderson EN (distance = 10) | |
| 1461 | Mor11se | MoRSE (‘se’, 11) |
3D | 3D-MoRSE weighted by sanderson EN (distance = 11) | |
| 1462 | Mor12se | MoRSE (‘se’, 12) |
3D | 3D-MoRSE weighted by sanderson EN (distance = 12) | |
| 1463 | Mor13se | MoRSE (‘se’, 13) |
3D | 3D-MoRSE weighted by sanderson EN (distance = 13) | |
| 1464 | Mor14se | MoRSE (‘se’, 14) |
3D | 3D-MoRSE weighted by sanderson EN (distance = 14) | |
| 1465 | Mor15se | MoRSE (‘se’, 15) |
3D | 3D-MoRSE weighted by sanderson EN (distance = 15) | |
| 1466 | Mor16se | MoRSE (‘se’, 16) |
3D | 3D-MoRSE weighted by sanderson EN (distance = 16) | |
| 1467 | Mor17se | MoRSE (‘se’, 17) |
3D | 3D-MoRSE weighted by sanderson EN (distance = 17) | |
| 1468 | Mor18se | MoRSE (‘se’, 18) |
3D | 3D-MoRSE weighted by sanderson EN (distance = 18) | |
| 1469 | Mor19se | MoRSE (‘se’, 19) |
3D | 3D-MoRSE weighted by sanderson EN (distance = 19) | |
| 1470 | Mor20se | MoRSE (‘se’, 20) |
3D | 3D-MoRSE weighted by sanderson EN (distance = 20) | |
| 1471 | Mor21se | MoRSE (‘se’, 21) |
3D | 3D-MoRSE weighted by sanderson EN (distance = 21) | |
| 1472 | Mor22se | MoRSE (‘se’, 22) |
3D | 3D-MoRSE weighted by sanderson EN (distance = 22) | |
| 1473 | Mor23se | MoRSE (‘se’, 23) |
3D | 3D-MoRSE weighted by sanderson EN (distance = 23) | |
| 1474 | Mor24se | MoRSE (‘se’, 24) |
3D | 3D-MoRSE weighted by sanderson EN (distance = 24) | |
| 1475 | Mor25se | MoRSE (‘se’, 25) |
3D | 3D-MoRSE weighted by sanderson EN (distance = 25) | |
| 1476 | Mor26se | MoRSE (‘se’, 26) |
3D | 3D-MoRSE weighted by sanderson EN (distance = 26) | |
| 1477 | Mor27se | MoRSE (‘se’, 27) |
3D | 3D-MoRSE weighted by sanderson EN (distance = 27) | |
| 1478 | Mor28se | MoRSE (‘se’, 28) |
3D | 3D-MoRSE weighted by sanderson EN (distance = 28) | |
| 1479 | Mor29se | MoRSE (‘se’, 29) |
3D | 3D-MoRSE weighted by sanderson EN (distance = 29) | |
| 1480 | Mor30se | MoRSE (‘se’, 30) |
3D | 3D-MoRSE weighted by sanderson EN (distance = 30) | |
| 1481 | Mor31se | MoRSE (‘se’, 31) |
3D | 3D-MoRSE weighted by sanderson EN (distance = 31) | |
| 1482 | Mor32se | MoRSE (‘se’, 32) |
3D | 3D-MoRSE weighted by sanderson EN (distance = 32) | |
| 1483 | Mor01p | MoRSE (‘p’, 1) |
3D | 3D-MoRSE weighted by polarizability (distance = 1) | |
| 1484 | Mor02p | MoRSE (‘p’, 2) |
3D | 3D-MoRSE weighted by polarizability (distance = 2) | |
| 1485 | Mor03p | MoRSE (‘p’, 3) |
3D | 3D-MoRSE weighted by polarizability (distance = 3) | |
| 1486 | Mor04p | MoRSE (‘p’, 4) |
3D | 3D-MoRSE weighted by polarizability (distance = 4) | |
| 1487 | Mor05p | MoRSE (‘p’, 5) |
3D | 3D-MoRSE weighted by polarizability (distance = 5) | |
| 1488 | Mor06p | MoRSE (‘p’, 6) |
3D | 3D-MoRSE weighted by polarizability (distance = 6) | |
| 1489 | Mor07p | MoRSE (‘p’, 7) |
3D | 3D-MoRSE weighted by polarizability (distance = 7) | |
| 1490 | Mor08p | MoRSE (‘p’, 8) |
3D | 3D-MoRSE weighted by polarizability (distance = 8) | |
| 1491 | Mor09p | MoRSE (‘p’, 9) |
3D | 3D-MoRSE weighted by polarizability (distance = 9) | |
| 1492 | Mor10p | MoRSE (‘p’, 10) |
3D | 3D-MoRSE weighted by polarizability (distance = 10) | |
| 1493 | Mor11p | MoRSE (‘p’, 11) |
3D | 3D-MoRSE weighted by polarizability (distance = 11) | |
| 1494 | Mor12p | MoRSE (‘p’, 12) |
3D | 3D-MoRSE weighted by polarizability (distance = 12) | |
| 1495 | Mor13p | MoRSE (‘p’, 13) |
3D | 3D-MoRSE weighted by polarizability (distance = 13) | |
| 1496 | Mor14p | MoRSE (‘p’, 14) |
3D | 3D-MoRSE weighted by polarizability (distance = 14) | |
| 1497 | Mor15p | MoRSE (‘p’, 15) |
3D | 3D-MoRSE weighted by polarizability (distance = 15) | |
| 1498 | Mor16p | MoRSE (‘p’, 16) |
3D | 3D-MoRSE weighted by polarizability (distance = 16) | |
| 1499 | Mor17p | MoRSE (‘p’, 17) |
3D | 3D-MoRSE weighted by polarizability (distance = 17) | |
| 1500 | Mor18p | MoRSE (‘p’, 18) |
3D | 3D-MoRSE weighted by polarizability (distance = 18) | |
| 1501 | Mor19p | MoRSE (‘p’, 19) |
3D | 3D-MoRSE weighted by polarizability (distance = 19) | |
| 1502 | Mor20p | MoRSE (‘p’, 20) |
3D | 3D-MoRSE weighted by polarizability (distance = 20) | |
| 1503 | Mor21p | MoRSE (‘p’, 21) |
3D | 3D-MoRSE weighted by polarizability (distance = 21) | |
| 1504 | Mor22p | MoRSE (‘p’, 22) |
3D | 3D-MoRSE weighted by polarizability (distance = 22) | |
| 1505 | Mor23p | MoRSE (‘p’, 23) |
3D | 3D-MoRSE weighted by polarizability (distance = 23) | |
| 1506 | Mor24p | MoRSE (‘p’, 24) |
3D | 3D-MoRSE weighted by polarizability (distance = 24) | |
| 1507 | Mor25p | MoRSE (‘p’, 25) |
3D | 3D-MoRSE weighted by polarizability (distance = 25) | |
| 1508 | Mor26p | MoRSE (‘p’, 26) |
3D | 3D-MoRSE weighted by polarizability (distance = 26) | |
| 1509 | Mor27p | MoRSE (‘p’, 27) |
3D | 3D-MoRSE weighted by polarizability (distance = 27) | |
| 1510 | Mor28p | MoRSE (‘p’, 28) |
3D | 3D-MoRSE weighted by polarizability (distance = 28) | |
| 1511 | Mor29p | MoRSE (‘p’, 29) |
3D | 3D-MoRSE weighted by polarizability (distance = 29) | |
| 1512 | Mor30p | MoRSE (‘p’, 30) |
3D | 3D-MoRSE weighted by polarizability (distance = 30) | |
| 1513 | Mor31p | MoRSE (‘p’, 31) |
3D | 3D-MoRSE weighted by polarizability (distance = 31) | |
| 1514 | Mor32p | MoRSE (‘p’, 32) |
3D | 3D-MoRSE weighted by polarizability (distance = 32) | |
| 1515 | MoeType |
LabuteASA | LabuteASA () |
2D | Labute’s Approximate Surface Area |
| 1516 | PEOE_VSA1 | PEOE_VSA (1) |
2D | MOE Charge VSA Descriptor 1 (-inf < x < -0.30) | |
| 1517 | PEOE_VSA2 | PEOE_VSA (2) |
2D | MOE Charge VSA Descriptor 2 (-0.30 <= x < -0.25) | |
| 1518 | PEOE_VSA3 | PEOE_VSA (3) |
2D | MOE Charge VSA Descriptor 3 (-0.25 <= x < -0.20) | |
| 1519 | PEOE_VSA4 | PEOE_VSA (4) |
2D | MOE Charge VSA Descriptor 4 (-0.20 <= x < -0.15) | |
| 1520 | PEOE_VSA5 | PEOE_VSA (5) |
2D | MOE Charge VSA Descriptor 5 (-0.15 <= x < -0.10) | |
| 1521 | PEOE_VSA6 | PEOE_VSA (6) |
2D | MOE Charge VSA Descriptor 6 (-0.10 <= x < -0.05) | |
| 1522 | PEOE_VSA7 | PEOE_VSA (7) |
2D | MOE Charge VSA Descriptor 7 (-0.05 <= x < 0.00) | |
| 1523 | PEOE_VSA8 | PEOE_VSA (8) |
2D | MOE Charge VSA Descriptor 8 ( 0.00 <= x < 0.05) | |
| 1524 | PEOE_VSA9 | PEOE_VSA (9) |
2D | MOE Charge VSA Descriptor 9 ( 0.05 <= x < 0.10) | |
| 1525 | PEOE_VSA10 | PEOE_VSA (10) |
2D | MOE Charge VSA Descriptor 10 ( 0.10 <= x < 0.15) | |
| 1526 | PEOE_VSA11 | PEOE_VSA (11) |
2D | MOE Charge VSA Descriptor 11 ( 0.15 <= x < 0.20) | |
| 1527 | PEOE_VSA12 | PEOE_VSA (12) |
2D | MOE Charge VSA Descriptor 12 ( 0.20 <= x < 0.25) | |
| 1528 | PEOE_VSA13 | PEOE_VSA (13) |
2D | MOE Charge VSA Descriptor 13 ( 0.25 <= x < 0.30) | |
| 1529 | SMR_VSA1 | SMR_VSA (1) |
2D | MOE MR VSA Descriptor 1 (-inf < x < 1.29) | |
| 1530 | SMR_VSA2 | SMR_VSA (2) |
2D | MOE MR VSA Descriptor 2 ( 1.29 <= x < 1.82) | |
| 1531 | SMR_VSA3 | SMR_VSA (3) |
2D | MOE MR VSA Descriptor 3 ( 1.82 <= x < 2.24) | |
| 1532 | SMR_VSA4 | SMR_VSA (4) |
2D | MOE MR VSA Descriptor 4 ( 2.24 <= x < 2.45) | |
| 1533 | SMR_VSA5 | SMR_VSA (5) |
2D | MOE MR VSA Descriptor 5 ( 2.45 <= x < 2.75) | |
| 1534 | SMR_VSA6 | SMR_VSA (6) |
2D | MOE MR VSA Descriptor 6 ( 2.75 <= x < 3.05) | |
| 1535 | SMR_VSA7 | SMR_VSA (7) |
2D | MOE MR VSA Descriptor 7 ( 3.05 <= x < 3.63) | |
| 1536 | SMR_VSA8 | SMR_VSA (8) |
2D | MOE MR VSA Descriptor 8 ( 3.63 <= x < 3.80) | |
| 1537 | SMR_VSA9 | SMR_VSA (9) |
2D | MOE MR VSA Descriptor 9 ( 3.80 <= x < 4.00) | |
| 1538 | SlogP_VSA1 | SlogP_VSA (1) |
2D | MOE logP VSA Descriptor 1 (-inf < x < -0.40) | |
| 1539 | SlogP_VSA2 | SlogP_VSA (2) |
2D | MOE logP VSA Descriptor 2 (-0.40 <= x < -0.20) | |
| 1540 | SlogP_VSA3 | SlogP_VSA (3) |
2D | MOE logP VSA Descriptor 3 (-0.20 <= x < 0.00) | |
| 1541 | SlogP_VSA4 | SlogP_VSA (4) |
2D | MOE logP VSA Descriptor 4 ( 0.00 <= x < 0.10) | |
| 1542 | SlogP_VSA5 | SlogP_VSA (5) |
2D | MOE logP VSA Descriptor 5 ( 0.10 <= x < 0.15) | |
| 1543 | SlogP_VSA6 | SlogP_VSA (6) |
2D | MOE logP VSA Descriptor 6 ( 0.15 <= x < 0.20) | |
| 1544 | SlogP_VSA7 | SlogP_VSA (7) |
2D | MOE logP VSA Descriptor 7 ( 0.20 <= x < 0.25) | |
| 1545 | SlogP_VSA8 | SlogP_VSA (8) |
2D | MOE logP VSA Descriptor 8 ( 0.25 <= x < 0.30) | |
| 1546 | SlogP_VSA9 | SlogP_VSA (9) |
2D | MOE logP VSA Descriptor 9 ( 0.30 <= x < 0.40) | |
| 1547 | SlogP_VSA10 | SlogP_VSA (10) |
2D | MOE logP VSA Descriptor 10 ( 0.40 <= x < 0.50) | |
| 1548 | SlogP_VSA11 | SlogP_VSA (11) |
2D | MOE logP VSA Descriptor 11 ( 0.50 <= x < 0.60) | |
| 1549 | EState_VSA1 | EState_VSA (1) |
2D | EState VSA Descriptor 1 (-inf < x < -0.39) | |
| 1550 | EState_VSA2 | EState_VSA (2) |
2D | EState VSA Descriptor 2 ( -0.39 <= x < 0.29) | |
| 1551 | EState_VSA3 | EState_VSA (3) |
2D | EState VSA Descriptor 3 ( 0.29 <= x < 0.72) | |
| 1552 | EState_VSA4 | EState_VSA (4) |
2D | EState VSA Descriptor 4 ( 0.72 <= x < 1.17) | |
| 1553 | EState_VSA5 | EState_VSA (5) |
2D | EState VSA Descriptor 5 ( 1.17 <= x < 1.54) | |
| 1554 | EState_VSA6 | EState_VSA (6) |
2D | EState VSA Descriptor 6 ( 1.54 <= x < 1.81) | |
| 1555 | EState_VSA7 | EState_VSA (7) |
2D | EState VSA Descriptor 7 ( 1.81 <= x < 2.05) | |
| 1556 | EState_VSA8 | EState_VSA (8) |
2D | EState VSA Descriptor 8 ( 2.05 <= x < 4.69) | |
| 1557 | EState_VSA9 | EState_VSA (9) |
2D | EState VSA Descriptor 9 ( 4.69 <= x < 9.17) | |
| 1558 | EState_VSA10 | EState_VSA (10) |
2D | EState VSA Descriptor 10 ( 9.17 <= x < 15.00) | |
| 1559 | VSA_EState1 | VSA_EState (1) |
2D | VSA EState Descriptor 1 (-inf < x < 4.78) | |
| 1560 | VSA_EState2 | VSA_EState (2) |
2D | VSA EState Descriptor 2 ( 4.78 <= x < 5.00) | |
| 1561 | VSA_EState3 | VSA_EState (3) |
2D | VSA EState Descriptor 3 ( 5.00 <= x < 5.41) | |
| 1562 | VSA_EState4 | VSA_EState (4) |
2D | VSA EState Descriptor 4 ( 5.41 <= x < 5.74) | |
| 1563 | VSA_EState5 | VSA_EState (5) |
2D | VSA EState Descriptor 5 ( 5.74 <= x < 6.00) | |
| 1564 | VSA_EState6 | VSA_EState (6) |
2D | VSA EState Descriptor 6 ( 6.00 <= x < 6.07) | |
| 1565 | VSA_EState7 | VSA_EState (7) |
2D | VSA EState Descriptor 7 ( 6.07 <= x < 6.45) | |
| 1566 | VSA_EState8 | VSA_EState (8) |
2D | VSA EState Descriptor 8 ( 6.45 <= x < 7.00) | |
| 1567 | VSA_EState9 | VSA_EState (9) |
2D | VSA EState Descriptor 9 ( 7.00 <= x < 11.00) | |
| 1568 | MolecularDistanceEdge |
MDEC-11 | MolecularDistanceEdge (1, 1, ‘C’) |
2D | molecular distance edge between primary C and primary C |
| 1569 | MDEC-12 | MolecularDistanceEdge (1, 2, ‘C’) |
2D | molecular distance edge between primary C and secondary C | |
| 1570 | MDEC-13 | MolecularDistanceEdge (1, 3, ‘C’) |
2D | molecular distance edge between primary C and tertiary C | |
| 1571 | MDEC-14 | MolecularDistanceEdge (1, 4, ‘C’) |
2D | molecular distance edge between primary C and quaternary C | |
| 1572 | MDEC-22 | MolecularDistanceEdge (2, 2, ‘C’) |
2D | molecular distance edge between secondary C and secondary C | |
| 1573 | MDEC-23 | MolecularDistanceEdge (2, 3, ‘C’) |
2D | molecular distance edge between secondary C and tertiary C | |
| 1574 | MDEC-24 | MolecularDistanceEdge (2, 4, ‘C’) |
2D | molecular distance edge between secondary C and quaternary C | |
| 1575 | MDEC-33 | MolecularDistanceEdge (3, 3, ‘C’) |
2D | molecular distance edge between tertiary C and tertiary C | |
| 1576 | MDEC-34 | MolecularDistanceEdge (3, 4, ‘C’) |
2D | molecular distance edge between tertiary C and quaternary C | |
| 1577 | MDEC-44 | MolecularDistanceEdge (4, 4, ‘C’) |
2D | molecular distance edge between quaternary C and quaternary C | |
| 1578 | MDEO-11 | MolecularDistanceEdge (1, 1, ‘O’) |
2D | molecular distance edge between primary O and primary O | |
| 1579 | MDEO-12 | MolecularDistanceEdge (1, 2, ‘O’) |
2D | molecular distance edge between primary O and secondary O | |
| 1580 | MDEO-22 | MolecularDistanceEdge (2, 2, ‘O’) |
2D | molecular distance edge between secondary O and secondary O | |
| 1581 | MDEN-11 | MolecularDistanceEdge (1, 1, ‘N’) |
2D | molecular distance edge between primary N and primary N | |
| 1582 | MDEN-12 | MolecularDistanceEdge (1, 2, ‘N’) |
2D | molecular distance edge between primary N and secondary N | |
| 1583 | MDEN-13 | MolecularDistanceEdge (1, 3, ‘N’) |
2D | molecular distance edge between primary N and tertiary N | |
| 1584 | MDEN-22 | MolecularDistanceEdge (2, 2, ‘N’) |
2D | molecular distance edge between secondary N and secondary N | |
| 1585 | MDEN-23 | MolecularDistanceEdge (2, 3, ‘N’) |
2D | molecular distance edge between secondary N and tertiary N | |
| 1586 | MDEN-33 | MolecularDistanceEdge (3, 3, ‘N’) |
2D | molecular distance edge between tertiary N and tertiary N | |
| 1587 | MolecularId |
MID | MolecularId (‘any’, False, 1e-10) |
2D | molecular ID |
| 1588 | AMID | MolecularId (‘any’, True, 1e-10) |
2D | averaged molecular ID | |
| 1589 | MID_h | MolecularId (‘hetero’, False, 1e-10) |
2D | molecular ID on h atoms | |
| 1590 | AMID_h | MolecularId (‘hetero’, True, 1e-10) |
2D | averaged molecular ID on h atoms | |
| 1591 | MID_C | MolecularId (‘C’, False, 1e-10) |
2D | molecular ID on C atoms | |
| 1592 | AMID_C | MolecularId (‘C’, True, 1e-10) |
2D | averaged molecular ID on C atoms | |
| 1593 | MID_N | MolecularId (‘N’, False, 1e-10) |
2D | molecular ID on N atoms | |
| 1594 | AMID_N | MolecularId (‘N’, True, 1e-10) |
2D | averaged molecular ID on N atoms | |
| 1595 | MID_O | MolecularId (‘O’, False, 1e-10) |
2D | molecular ID on O atoms | |
| 1596 | AMID_O | MolecularId (‘O’, True, 1e-10) |
2D | averaged molecular ID on O atoms | |
| 1597 | MID_X | MolecularId (‘X’, False, 1e-10) |
2D | molecular ID on halogen atoms | |
| 1598 | AMID_X | MolecularId (‘X’, True, 1e-10) |
2D | averaged molecular ID on halogen atoms | |
| 1599 | MomentOfInertia |
MOMI-X | MomentOfInertia (‘X’) |
3D | moment of inertia (axis = X) |
| 1600 | MOMI-Y | MomentOfInertia (‘Y’) |
3D | moment of inertia (axis = Y) | |
| 1601 | MOMI-Z | MomentOfInertia (‘Z’) |
3D | moment of inertia (axis = Z) | |
| 1602 | PathCount |
MPC2 | PathCount (2, False, False, False) |
2D | 2-ordered path count |
| 1603 | MPC3 | PathCount (3, False, False, False) |
2D | 3-ordered path count | |
| 1604 | MPC4 | PathCount (4, False, False, False) |
2D | 4-ordered path count | |
| 1605 | MPC5 | PathCount (5, False, False, False) |
2D | 5-ordered path count | |
| 1606 | MPC6 | PathCount (6, False, False, False) |
2D | 6-ordered path count | |
| 1607 | MPC7 | PathCount (7, False, False, False) |
2D | 7-ordered path count | |
| 1608 | MPC8 | PathCount (8, False, False, False) |
2D | 8-ordered path count | |
| 1609 | MPC9 | PathCount (9, False, False, False) |
2D | 9-ordered path count | |
| 1610 | MPC10 | PathCount (10, False, False, False) |
2D | 10-ordered path count | |
| 1611 | TMPC10 | PathCount (10, False, True, False) |
2D | 10-ordered total path count | |
| 1612 | piPC1 | PathCount (1, True, False, True) |
2D | 1-ordered pi-path count (log scale) | |
| 1613 | piPC2 | PathCount (2, True, False, True) |
2D | 2-ordered pi-path count (log scale) | |
| 1614 | piPC3 | PathCount (3, True, False, True) |
2D | 3-ordered pi-path count (log scale) | |
| 1615 | piPC4 | PathCount (4, True, False, True) |
2D | 4-ordered pi-path count (log scale) | |
| 1616 | piPC5 | PathCount (5, True, False, True) |
2D | 5-ordered pi-path count (log scale) | |
| 1617 | piPC6 | PathCount (6, True, False, True) |
2D | 6-ordered pi-path count (log scale) | |
| 1618 | piPC7 | PathCount (7, True, False, True) |
2D | 7-ordered pi-path count (log scale) | |
| 1619 | piPC8 | PathCount (8, True, False, True) |
2D | 8-ordered pi-path count (log scale) | |
| 1620 | piPC9 | PathCount (9, True, False, True) |
2D | 9-ordered pi-path count (log scale) | |
| 1621 | piPC10 | PathCount (10, True, False, True) |
2D | 10-ordered pi-path count (log scale) | |
| 1622 | TpiPC10 | PathCount (10, True, True, True) |
2D | 10-ordered total pi-path count (log scale) | |
| 1623 | Polarizability |
apol | APol (False) |
2D | atomic polarizability |
| 1624 | bpol | BPol (False) |
2D | bond polarizability | |
| 1625 | RingCount |
nRing | RingCount (None, False, False, None, None) |
2D | ring count |
| 1626 | n3Ring | RingCount (3, False, False, None, None) |
2D | 3-membered ring count | |
| 1627 | n4Ring | RingCount (4, False, False, None, None) |
2D | 4-membered ring count | |
| 1628 | n5Ring | RingCount (5, False, False, None, None) |
2D | 5-membered ring count | |
| 1629 | n6Ring | RingCount (6, False, False, None, None) |
2D | 6-membered ring count | |
| 1630 | n7Ring | RingCount (7, False, False, None, None) |
2D | 7-membered ring count | |
| 1631 | n8Ring | RingCount (8, False, False, None, None) |
2D | 8-membered ring count | |
| 1632 | n9Ring | RingCount (9, False, False, None, None) |
2D | 9-membered ring count | |
| 1633 | n10Ring | RingCount (10, False, False, None, None) |
2D | 10-membered ring count | |
| 1634 | n11Ring | RingCount (11, False, False, None, None) |
2D | 11-membered ring count | |
| 1635 | n12Ring | RingCount (12, False, False, None, None) |
2D | 12-membered ring count | |
| 1636 | nG12Ring | RingCount (12, True, False, None, None) |
2D | 12-or-greater-membered ring count | |
| 1637 | nHRing | RingCount (None, False, False, None, True) |
2D | ring count | |
| 1638 | n3HRing | RingCount (3, False, False, None, True) |
2D | 3-membered ring count | |
| 1639 | n4HRing | RingCount (4, False, False, None, True) |
2D | 4-membered ring count | |
| 1640 | n5HRing | RingCount (5, False, False, None, True) |
2D | 5-membered ring count | |
| 1641 | n6HRing | RingCount (6, False, False, None, True) |
2D | 6-membered ring count | |
| 1642 | n7HRing | RingCount (7, False, False, None, True) |
2D | 7-membered ring count | |
| 1643 | n8HRing | RingCount (8, False, False, None, True) |
2D | 8-membered ring count | |
| 1644 | n9HRing | RingCount (9, False, False, None, True) |
2D | 9-membered ring count | |
| 1645 | n10HRing | RingCount (10, False, False, None, True) |
2D | 10-membered ring count | |
| 1646 | n11HRing | RingCount (11, False, False, None, True) |
2D | 11-membered ring count | |
| 1647 | n12HRing | RingCount (12, False, False, None, True) |
2D | 12-membered ring count | |
| 1648 | nG12HRing | RingCount (12, True, False, None, True) |
2D | 12-or-greater-membered ring count | |
| 1649 | naRing | RingCount (None, False, False, True, None) |
2D | aromatic ring count | |
| 1650 | n3aRing | RingCount (3, False, False, True, None) |
2D | 3-membered aromatic ring count | |
| 1651 | n4aRing | RingCount (4, False, False, True, None) |
2D | 4-membered aromatic ring count | |
| 1652 | n5aRing | RingCount (5, False, False, True, None) |
2D | 5-membered aromatic ring count | |
| 1653 | n6aRing | RingCount (6, False, False, True, None) |
2D | 6-membered aromatic ring count | |
| 1654 | n7aRing | RingCount (7, False, False, True, None) |
2D | 7-membered aromatic ring count | |
| 1655 | n8aRing | RingCount (8, False, False, True, None) |
2D | 8-membered aromatic ring count | |
| 1656 | n9aRing | RingCount (9, False, False, True, None) |
2D | 9-membered aromatic ring count | |
| 1657 | n10aRing | RingCount (10, False, False, True, None) |
2D | 10-membered aromatic ring count | |
| 1658 | n11aRing | RingCount (11, False, False, True, None) |
2D | 11-membered aromatic ring count | |
| 1659 | n12aRing | RingCount (12, False, False, True, None) |
2D | 12-membered aromatic ring count | |
| 1660 | nG12aRing | RingCount (12, True, False, True, None) |
2D | 12-or-greater-membered aromatic ring count | |
| 1661 | naHRing | RingCount (None, False, False, True, True) |
2D | aromatic ring count | |
| 1662 | n3aHRing | RingCount (3, False, False, True, True) |
2D | 3-membered aromatic ring count | |
| 1663 | n4aHRing | RingCount (4, False, False, True, True) |
2D | 4-membered aromatic ring count | |
| 1664 | n5aHRing | RingCount (5, False, False, True, True) |
2D | 5-membered aromatic ring count | |
| 1665 | n6aHRing | RingCount (6, False, False, True, True) |
2D | 6-membered aromatic ring count | |
| 1666 | n7aHRing | RingCount (7, False, False, True, True) |
2D | 7-membered aromatic ring count | |
| 1667 | n8aHRing | RingCount (8, False, False, True, True) |
2D | 8-membered aromatic ring count | |
| 1668 | n9aHRing | RingCount (9, False, False, True, True) |
2D | 9-membered aromatic ring count | |
| 1669 | n10aHRing | RingCount (10, False, False, True, True) |
2D | 10-membered aromatic ring count | |
| 1670 | n11aHRing | RingCount (11, False, False, True, True) |
2D | 11-membered aromatic ring count | |
| 1671 | n12aHRing | RingCount (12, False, False, True, True) |
2D | 12-membered aromatic ring count | |
| 1672 | nG12aHRing | RingCount (12, True, False, True, True) |
2D | 12-or-greater-membered aromatic ring count | |
| 1673 | nARing | RingCount (None, False, False, False, None) |
2D | ring count | |
| 1674 | n3ARing | RingCount (3, False, False, False, None) |
2D | 3-membered ring count | |
| 1675 | n4ARing | RingCount (4, False, False, False, None) |
2D | 4-membered ring count | |
| 1676 | n5ARing | RingCount (5, False, False, False, None) |
2D | 5-membered ring count | |
| 1677 | n6ARing | RingCount (6, False, False, False, None) |
2D | 6-membered ring count | |
| 1678 | n7ARing | RingCount (7, False, False, False, None) |
2D | 7-membered ring count | |
| 1679 | n8ARing | RingCount (8, False, False, False, None) |
2D | 8-membered ring count | |
| 1680 | n9ARing | RingCount (9, False, False, False, None) |
2D | 9-membered ring count | |
| 1681 | n10ARing | RingCount (10, False, False, False, None) |
2D | 10-membered ring count | |
| 1682 | n11ARing | RingCount (11, False, False, False, None) |
2D | 11-membered ring count | |
| 1683 | n12ARing | RingCount (12, False, False, False, None) |
2D | 12-membered ring count | |
| 1684 | nG12ARing | RingCount (12, True, False, False, None) |
2D | 12-or-greater-membered ring count | |
| 1685 | nAHRing | RingCount (None, False, False, False, True) |
2D | ring count | |
| 1686 | n3AHRing | RingCount (3, False, False, False, True) |
2D | 3-membered ring count | |
| 1687 | n4AHRing | RingCount (4, False, False, False, True) |
2D | 4-membered ring count | |
| 1688 | n5AHRing | RingCount (5, False, False, False, True) |
2D | 5-membered ring count | |
| 1689 | n6AHRing | RingCount (6, False, False, False, True) |
2D | 6-membered ring count | |
| 1690 | n7AHRing | RingCount (7, False, False, False, True) |
2D | 7-membered ring count | |
| 1691 | n8AHRing | RingCount (8, False, False, False, True) |
2D | 8-membered ring count | |
| 1692 | n9AHRing | RingCount (9, False, False, False, True) |
2D | 9-membered ring count | |
| 1693 | n10AHRing | RingCount (10, False, False, False, True) |
2D | 10-membered ring count | |
| 1694 | n11AHRing | RingCount (11, False, False, False, True) |
2D | 11-membered ring count | |
| 1695 | n12AHRing | RingCount (12, False, False, False, True) |
2D | 12-membered ring count | |
| 1696 | nG12AHRing | RingCount (12, True, False, False, True) |
2D | 12-or-greater-membered ring count | |
| 1697 | nFRing | RingCount (None, False, True, None, None) |
2D | fused ring count | |
| 1698 | n4FRing | RingCount (4, False, True, None, None) |
2D | 4-membered fused ring count | |
| 1699 | n5FRing | RingCount (5, False, True, None, None) |
2D | 5-membered fused ring count | |
| 1700 | n6FRing | RingCount (6, False, True, None, None) |
2D | 6-membered fused ring count | |
| 1701 | n7FRing | RingCount (7, False, True, None, None) |
2D | 7-membered fused ring count | |
| 1702 | n8FRing | RingCount (8, False, True, None, None) |
2D | 8-membered fused ring count | |
| 1703 | n9FRing | RingCount (9, False, True, None, None) |
2D | 9-membered fused ring count | |
| 1704 | n10FRing | RingCount (10, False, True, None, None) |
2D | 10-membered fused ring count | |
| 1705 | n11FRing | RingCount (11, False, True, None, None) |
2D | 11-membered fused ring count | |
| 1706 | n12FRing | RingCount (12, False, True, None, None) |
2D | 12-membered fused ring count | |
| 1707 | nG12FRing | RingCount (12, True, True, None, None) |
2D | 12-or-greater-membered fused ring count | |
| 1708 | nFHRing | RingCount (None, False, True, None, True) |
2D | fused ring count | |
| 1709 | n4FHRing | RingCount (4, False, True, None, True) |
2D | 4-membered fused ring count | |
| 1710 | n5FHRing | RingCount (5, False, True, None, True) |
2D | 5-membered fused ring count | |
| 1711 | n6FHRing | RingCount (6, False, True, None, True) |
2D | 6-membered fused ring count | |
| 1712 | n7FHRing | RingCount (7, False, True, None, True) |
2D | 7-membered fused ring count | |
| 1713 | n8FHRing | RingCount (8, False, True, None, True) |
2D | 8-membered fused ring count | |
| 1714 | n9FHRing | RingCount (9, False, True, None, True) |
2D | 9-membered fused ring count | |
| 1715 | n10FHRing | RingCount (10, False, True, None, True) |
2D | 10-membered fused ring count | |
| 1716 | n11FHRing | RingCount (11, False, True, None, True) |
2D | 11-membered fused ring count | |
| 1717 | n12FHRing | RingCount (12, False, True, None, True) |
2D | 12-membered fused ring count | |
| 1718 | nG12FHRing | RingCount (12, True, True, None, True) |
2D | 12-or-greater-membered fused ring count | |
| 1719 | nFaRing | RingCount (None, False, True, True, None) |
2D | fused aromatic ring count | |
| 1720 | n4FaRing | RingCount (4, False, True, True, None) |
2D | 4-membered fused aromatic ring count | |
| 1721 | n5FaRing | RingCount (5, False, True, True, None) |
2D | 5-membered fused aromatic ring count | |
| 1722 | n6FaRing | RingCount (6, False, True, True, None) |
2D | 6-membered fused aromatic ring count | |
| 1723 | n7FaRing | RingCount (7, False, True, True, None) |
2D | 7-membered fused aromatic ring count | |
| 1724 | n8FaRing | RingCount (8, False, True, True, None) |
2D | 8-membered fused aromatic ring count | |
| 1725 | n9FaRing | RingCount (9, False, True, True, None) |
2D | 9-membered fused aromatic ring count | |
| 1726 | n10FaRing | RingCount (10, False, True, True, None) |
2D | 10-membered fused aromatic ring count | |
| 1727 | n11FaRing | RingCount (11, False, True, True, None) |
2D | 11-membered fused aromatic ring count | |
| 1728 | n12FaRing | RingCount (12, False, True, True, None) |
2D | 12-membered fused aromatic ring count | |
| 1729 | nG12FaRing | RingCount (12, True, True, True, None) |
2D | 12-or-greater-membered fused aromatic ring count | |
| 1730 | nFaHRing | RingCount (None, False, True, True, True) |
2D | fused aromatic ring count | |
| 1731 | n4FaHRing | RingCount (4, False, True, True, True) |
2D | 4-membered fused aromatic ring count | |
| 1732 | n5FaHRing | RingCount (5, False, True, True, True) |
2D | 5-membered fused aromatic ring count | |
| 1733 | n6FaHRing | RingCount (6, False, True, True, True) |
2D | 6-membered fused aromatic ring count | |
| 1734 | n7FaHRing | RingCount (7, False, True, True, True) |
2D | 7-membered fused aromatic ring count | |
| 1735 | n8FaHRing | RingCount (8, False, True, True, True) |
2D | 8-membered fused aromatic ring count | |
| 1736 | n9FaHRing | RingCount (9, False, True, True, True) |
2D | 9-membered fused aromatic ring count | |
| 1737 | n10FaHRing | RingCount (10, False, True, True, True) |
2D | 10-membered fused aromatic ring count | |
| 1738 | n11FaHRing | RingCount (11, False, True, True, True) |
2D | 11-membered fused aromatic ring count | |
| 1739 | n12FaHRing | RingCount (12, False, True, True, True) |
2D | 12-membered fused aromatic ring count | |
| 1740 | nG12FaHRing | RingCount (12, True, True, True, True) |
2D | 12-or-greater-membered fused aromatic ring count | |
| 1741 | nFARing | RingCount (None, False, True, False, None) |
2D | fused ring count | |
| 1742 | n4FARing | RingCount (4, False, True, False, None) |
2D | 4-membered fused ring count | |
| 1743 | n5FARing | RingCount (5, False, True, False, None) |
2D | 5-membered fused ring count | |
| 1744 | n6FARing | RingCount (6, False, True, False, None) |
2D | 6-membered fused ring count | |
| 1745 | n7FARing | RingCount (7, False, True, False, None) |
2D | 7-membered fused ring count | |
| 1746 | n8FARing | RingCount (8, False, True, False, None) |
2D | 8-membered fused ring count | |
| 1747 | n9FARing | RingCount (9, False, True, False, None) |
2D | 9-membered fused ring count | |
| 1748 | n10FARing | RingCount (10, False, True, False, None) |
2D | 10-membered fused ring count | |
| 1749 | n11FARing | RingCount (11, False, True, False, None) |
2D | 11-membered fused ring count | |
| 1750 | n12FARing | RingCount (12, False, True, False, None) |
2D | 12-membered fused ring count | |
| 1751 | nG12FARing | RingCount (12, True, True, False, None) |
2D | 12-or-greater-membered fused ring count | |
| 1752 | nFAHRing | RingCount (None, False, True, False, True) |
2D | fused ring count | |
| 1753 | n4FAHRing | RingCount (4, False, True, False, True) |
2D | 4-membered fused ring count | |
| 1754 | n5FAHRing | RingCount (5, False, True, False, True) |
2D | 5-membered fused ring count | |
| 1755 | n6FAHRing | RingCount (6, False, True, False, True) |
2D | 6-membered fused ring count | |
| 1756 | n7FAHRing | RingCount (7, False, True, False, True) |
2D | 7-membered fused ring count | |
| 1757 | n8FAHRing | RingCount (8, False, True, False, True) |
2D | 8-membered fused ring count | |
| 1758 | n9FAHRing | RingCount (9, False, True, False, True) |
2D | 9-membered fused ring count | |
| 1759 | n10FAHRing | RingCount (10, False, True, False, True) |
2D | 10-membered fused ring count | |
| 1760 | n11FAHRing | RingCount (11, False, True, False, True) |
2D | 11-membered fused ring count | |
| 1761 | n12FAHRing | RingCount (12, False, True, False, True) |
2D | 12-membered fused ring count | |
| 1762 | nG12FAHRing | RingCount (12, True, True, False, True) |
2D | 12-or-greater-membered fused ring count | |
| 1763 | RotatableBond |
nRot | RotatableBondsCount () |
2D | rotatable bonds count |
| 1764 | RotRatio | RotatableBondsRatio () |
2D | rotatable bonds ratio | |
| 1765 | SLogP |
SLogP | SLogP () |
2D | Wildman-Crippen LogP |
| 1766 | SMR | SMR () |
2D | Wildman-Crippen MR | |
| 1767 | TopoPSA |
TopoPSA(NO) | TopoPSA (True) |
2D | topological polar surface area (use only nitrogen and oxygen) |
| 1768 | TopoPSA | TopoPSA (False) |
2D | topological polar surface area | |
| 1769 | TopologicalCharge |
GGI1 | TopologicalCharge (‘raw’, 1) |
2D | 1-ordered raw topological charge |
| 1770 | GGI2 | TopologicalCharge (‘raw’, 2) |
2D | 2-ordered raw topological charge | |
| 1771 | GGI3 | TopologicalCharge (‘raw’, 3) |
2D | 3-ordered raw topological charge | |
| 1772 | GGI4 | TopologicalCharge (‘raw’, 4) |
2D | 4-ordered raw topological charge | |
| 1773 | GGI5 | TopologicalCharge (‘raw’, 5) |
2D | 5-ordered raw topological charge | |
| 1774 | GGI6 | TopologicalCharge (‘raw’, 6) |
2D | 6-ordered raw topological charge | |
| 1775 | GGI7 | TopologicalCharge (‘raw’, 7) |
2D | 7-ordered raw topological charge | |
| 1776 | GGI8 | TopologicalCharge (‘raw’, 8) |
2D | 8-ordered raw topological charge | |
| 1777 | GGI9 | TopologicalCharge (‘raw’, 9) |
2D | 9-ordered raw topological charge | |
| 1778 | GGI10 | TopologicalCharge (‘raw’, 10) |
2D | 10-ordered raw topological charge | |
| 1779 | JGI1 | TopologicalCharge (‘mean’, 1) |
2D | 1-ordered mean topological charge | |
| 1780 | JGI2 | TopologicalCharge (‘mean’, 2) |
2D | 2-ordered mean topological charge | |
| 1781 | JGI3 | TopologicalCharge (‘mean’, 3) |
2D | 3-ordered mean topological charge | |
| 1782 | JGI4 | TopologicalCharge (‘mean’, 4) |
2D | 4-ordered mean topological charge | |
| 1783 | JGI5 | TopologicalCharge (‘mean’, 5) |
2D | 5-ordered mean topological charge | |
| 1784 | JGI6 | TopologicalCharge (‘mean’, 6) |
2D | 6-ordered mean topological charge | |
| 1785 | JGI7 | TopologicalCharge (‘mean’, 7) |
2D | 7-ordered mean topological charge | |
| 1786 | JGI8 | TopologicalCharge (‘mean’, 8) |
2D | 8-ordered mean topological charge | |
| 1787 | JGI9 | TopologicalCharge (‘mean’, 9) |
2D | 9-ordered mean topological charge | |
| 1788 | JGI10 | TopologicalCharge (‘mean’, 10) |
2D | 10-ordered mean topological charge | |
| 1789 | JGT10 | TopologicalCharge (‘global’, 10) |
2D | 10-ordered global topological charge | |
| 1790 | TopologicalIndex |
Diameter | Diameter () |
2D | topological diameter |
| 1791 | Radius | Radius () |
2D | topological radius | |
| 1792 | TopoShapeIndex | TopologicalShapeIndex () |
2D | topological shape index | |
| 1793 | PetitjeanIndex | PetitjeanIndex () |
2D | Petitjean index | |
| 1794 | VdwVolumeABC |
Vabc | VdwVolumeABC () |
2D | ABC van der waals volume |
| 1795 | VertexAdjacencyInformation |
VAdjMat | VertexAdjacencyInformation () |
2D | vertex adjacency information |
| 1796 | WalkCount |
MWC01 | WalkCount (1, False, False) |
2D | walk count (leg-1) |
| 1797 | MWC02 | WalkCount (2, False, False) |
2D | walk count (leg-2) | |
| 1798 | MWC03 | WalkCount (3, False, False) |
2D | walk count (leg-3) | |
| 1799 | MWC04 | WalkCount (4, False, False) |
2D | walk count (leg-4) | |
| 1800 | MWC05 | WalkCount (5, False, False) |
2D | walk count (leg-5) | |
| 1801 | MWC06 | WalkCount (6, False, False) |
2D | walk count (leg-6) | |
| 1802 | MWC07 | WalkCount (7, False, False) |
2D | walk count (leg-7) | |
| 1803 | MWC08 | WalkCount (8, False, False) |
2D | walk count (leg-8) | |
| 1804 | MWC09 | WalkCount (9, False, False) |
2D | walk count (leg-9) | |
| 1805 | MWC10 | WalkCount (10, False, False) |
2D | walk count (leg-10) | |
| 1806 | TMWC10 | WalkCount (10, True, False) |
2D | total walk count (leg-10) | |
| 1807 | SRW02 | WalkCount (2, False, True) |
2D | walk count (leg-2, only self returning walk) | |
| 1808 | SRW03 | WalkCount (3, False, True) |
2D | walk count (leg-3, only self returning walk) | |
| 1809 | SRW04 | WalkCount (4, False, True) |
2D | walk count (leg-4, only self returning walk) | |
| 1810 | SRW05 | WalkCount (5, False, True) |
2D | walk count (leg-5, only self returning walk) | |
| 1811 | SRW06 | WalkCount (6, False, True) |
2D | walk count (leg-6, only self returning walk) | |
| 1812 | SRW07 | WalkCount (7, False, True) |
2D | walk count (leg-7, only self returning walk) | |
| 1813 | SRW08 | WalkCount (8, False, True) |
2D | walk count (leg-8, only self returning walk) | |
| 1814 | SRW09 | WalkCount (9, False, True) |
2D | walk count (leg-9, only self returning walk) | |
| 1815 | SRW10 | WalkCount (10, False, True) |
2D | walk count (leg-10, only self returning walk) | |
| 1816 | TSRW10 | WalkCount (10, True, True) |
2D | total walk count (leg-10, only self returning walk) | |
| 1817 | Weight |
MW | Weight (False) |
2D | molecular weight |
| 1818 | AMW | Weight (True) |
2D | averaged molecular weight | |
| 1819 | WienerIndex |
WPath | WienerIndex (False) |
2D | Wiener index |
| 1820 | WPol | WienerIndex (True) |
2D | Wiener polarity index | |
| 1821 | ZagrebIndex |
Zagreb1 | ZagrebIndex (1, 1) |
2D | Zagreb index (version 1) |
| 1822 | Zagreb2 | ZagrebIndex (2, 1) |
2D | Zagreb index (version 2) | |
| 1823 | mZagreb1 | ZagrebIndex (1, -1) |
2D | modified Zagreb index (version 1) | |
| 1824 | mZagreb2 | ZagrebIndex (2, -1) |
2D | modified Zagreb index (version 2) |