Module rdMolDescriptors
Classes
AtomPairsParameters
NumRotatableBondsOptions
Functions
CalcChi0n
CalcChi0v
CalcChi1n
CalcChi1v
CalcChi2n
CalcChi2v
CalcChi3n
CalcChi3v
CalcChi4n
CalcChi4v
CalcChiNn
CalcChiNv
CalcCrippenDescriptors
CalcExactMolWt
CalcFractionCSP3
CalcHallKierAlpha
CalcKappa1
CalcKappa2
CalcKappa3
CalcLabuteASA
CalcMolFormula
CalcNumAliphaticCarbocycles
CalcNumAliphaticHeterocycles
CalcNumAliphaticRings
CalcNumAmideBonds
CalcNumAromaticCarbocycles
CalcNumAromaticHeterocycles
CalcNumAromaticRings
CalcNumBridgeheadAtoms
CalcNumHBA
CalcNumHBD
CalcNumHeteroatoms
CalcNumHeterocycles
CalcNumLipinskiHBA
CalcNumLipinskiHBD
CalcNumRings
CalcNumRotatableBonds
CalcNumSaturatedCarbocycles
CalcNumSaturatedHeterocycles
CalcNumSaturatedRings
CalcNumSpiroAtoms
CalcTPSA
GetAtomPairAtomCode
GetAtomPairFingerprint
GetConnectivityInvariants
GetFeatureInvariants
GetHashedAtomPairFingerprint
GetHashedAtomPairFingerprintAsBitVect
GetHashedMorganFingerprint
GetHashedTopologicalTorsionFingerprint
GetHashedTopologicalTorsionFingerprintAsBitVect
GetMACCSKeysFingerprint
GetMorganFingerprint
GetMorganFingerprintAsBitVect
GetTopologicalTorsionFingerprint
MQNs_
PEOE_VSA_
SMR_VSA_
SlogP_VSA_
Variables
__package__
[hide private]