Module AllChem
Functions
AddHs
AlignMol
AlignMolConformers
AssignAtomChiralCodes
AssignAtomChiralTagsFromStructure
AssignBondStereoCodes
AssignStereochemistry
BuildFeatureFactory
BuildFeatureFactoryFromString
CalcCrippenDescriptors
CalcLabuteASA
CanonicalizeConformer
CanonicalizeMol
Compute2DCoords
Compute2DCoordsMimicDistmat
ComputeCanonicalTransform
ComputeCentroid
ComputeConfBox
ComputeConfDimsAndOffset
ComputeGasteigerCharges
ComputeMolShape
ComputeMolVolume
ComputeUnionBox
ConstrainedEmbed
DaylightFingerprint
DeleteSubstructs
EmbedMolecule
EmbedMultipleConfs
EncodeShape
EnumerateLibraryFromReaction
FindAllPathsOfLengthN
FindAllSubgraphsOfLengthN
FindUniqueSubgraphsOfLengthN
GenerateDepictionMatching3DStructure
GetAdjacencyMatrix
GetAlignmentTransform
GetAtomMatch
GetAtomPairAtomCode
GetAtomPairFingerprint
GetBestRMS
GetDistanceMatrix
GetFormalCharge
GetHashedAtomPairFingerprint
GetMolFrags
GetMoleculeBoundsMatrix
GetMorganFingerprint
GetPeriodicTable
GetSSSR
GetSymmSSSR
GetTopologicalTorsionFingerprint
Kekulize
LayeredFingerprint
MergeQueryHs
MolFromMol2Block
MolFromMol2File
MolFromMolBlock
MolFromMolFile
MolFromQuerySLN
MolFromSLN
MolFromSmarts
MolFromSmiles
MolFromTPLBlock
MolFromTPLFile
MolToMolBlock
MolToSmarts
MolToSmiles
MolToTPLBlock
MolToTPLFile
RDKFingerprint
ReactionFromRxnBlock
ReactionFromRxnFile
ReactionFromSmarts
RemoveHs
RemoveStereochemistry
ReplaceCore
ReplaceSidechains
ReplaceSubstructs
SanitizeMol
SetAromaticity
ShapeProtrudeDist
ShapeTanimotoDist
SmilesMolSupplierFromText
TransformConformer
TransformMol
UFFGetMoleculeForceField
UFFOptimizeMolecule
WedgeMolBonds
tossit
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