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Module containing functions to generate and work with reduced graphs
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__package__ = None hash(x) |
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GenerateErGFingerprintForReducedGraph( (Mol)mol [, (AtomPairsParameters)atomTypes=0 [, (float)fuzzIncrement=0.3 [, (int)minPath=1 [, (int)maxPath=15]]]]) -> object : Returns the ErG fingerprint vector for a reduced graph C++ signature : _object* GenerateErGFingerprintForReducedGraph(RDKit::ROMol [,boost::python::api::object=0 [,double=0.3 [,int=1 [,int=15]]]]) |
GenerateMolExtendedReducedGraph( (Mol)mol [, (AtomPairsParameters)atomTypes=0]) -> Mol : Returns the reduced graph for a molecule C++ signature : RDKit::ROMol* GenerateMolExtendedReducedGraph(RDKit::ROMol [,boost::python::api::object=0]) |
GetErGFingerprint( (Mol)mol [, (AtomPairsParameters)atomTypes=0 [, (float)fuzzIncrement=0.3 [, (int)minPath=1 [, (int)maxPath=15]]]]) -> object : Returns the ErG fingerprint vector for a molecule C++ signature : _object* GetErGFingerprint(RDKit::ROMol [,boost::python::api::object=0 [,double=0.3 [,int=1 [,int=15]]]]) |
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