mordred.MolecularDistanceEdge module

class mordred.MolecularDistanceEdge.MolecularDistanceEdge(valence1=1, valence2=1, element='C')

Bases: mordred._base.Descriptor

molecular distance edge descriptor.

Parameters:

• valence1 (int) – valence of first atom
• valence2 (int) – valence of second atom
• element (str or int) – atomic symbol or atomic number

Returns:

NaN when \(N_{\rm MDE} = 0\)

explicit_hydrogens = False

gasteiger_charges = False

kekulize = False

require_connected = False

rtype

alias of float