mordred.FragmentComplexity module

class mordred.FragmentComplexity.FragmentComplexity

Bases: mordred._base.Descriptor

fragment complexity descriptor.

\[{\rm fragCpx} = \left| B^2 - A^2 + A \right| + \frac{H}{100}\]

where \(A\) is number of atoms, \(B\) is number of bonds, \(H\) is number of hetero atoms

References

• [NNG+06]

explicit_hydrogens = False

gasteiger_charges = False

kekulize = False

require_connected = False

rtype

alias of float