Module rdMolDescriptors


Classes

AtomPairsParameters

Functions

CalcCrippenDescriptors
CalcLabuteASA
GetAtomPairAtomCode
GetAtomPairFingerprint
GetHashedAtomPairFingerprint
GetMorganFingerprint
GetTopologicalTorsionFingerprint
_CalcCrippenContribs
_CalcLabuteASAContribs
_CalcMolWt

Variables

__CalcCrippenDescriptors_version__
__CalcLabuteASA_version__
__CalcMolWt_version__
__MorganFingerprint_version__

[hide private]