RDKit
Open-source cheminformatics and machine learning.
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- i -
InfoEntropy() :
RDInfoTheory
InfoEntropyGain() :
RDInfoTheory
initBoundsMat() :
RDKit::DGeomHelpers
initCanonAtoms() :
RDKit::Canon
InitLogs() :
RDLog
inOrganicSubset() :
RDKit::SmilesWrite
Intersect() :
RDKit
isAngleInRingOfSize3or4() :
RDKit::MMFF
isAtomAromatic() :
RDKit::Fingerprints::detail
isAtomInAromaticRingOfSize() :
RDKit::MMFF
isAtomNOxide() :
RDKit::MMFF
isComplexQuery() :
RDKit::Fingerprints::detail
isDoubleZero() :
ForceFields::MMFF
,
ForceFields::UFF
,
RDKit::MolAlign
isInGroup6() :
ForceFields::UFF::Utils
isMoleculeAgentOfReaction() :
RDKit
isMoleculeProductOfReaction() :
RDKit
isMoleculeReactantOfReaction() :
RDKit
isReactionTemplateMoleculeAgent() :
RDKit
isTorsionInRingOfSize4or5() :
RDKit::MMFF
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