mordred.ABCIndex module¶

References

http://match.pmf.kg.ac.rs/electronic_versions/Match75/n1/match75n1_233-242.pdf

class mordred.ABCIndex.ABCIndex[source]¶

Bases: mordred.ABCIndex.ABCIndexBase

atom-bond connectivity index descriptor.

References

doi:10.2298/FIL1204733D

explicit_hydrogens = False¶

kekulize = False¶

require_3D = False¶

require_connected = False¶

rtype¶: alias of float

class mordred.ABCIndex.ABCGGIndex[source]¶

Bases: mordred.ABCIndex.ABCIndexBase

Graovac-Ghorbani atom-bond connectivity index descriptor.

References

Furtula, B. Atom-bond connectivity index versus Graovac-Ghorbani analog. MATCH Commun. Math. Comput. Chem 75, 233-242 (2016).

explicit_hydrogens = False¶

kekulize = False¶

require_3D = False¶

require_connected = False¶

rtype¶: alias of float