RDKit
Open-source cheminformatics and machine learning.
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RDKit::FingerprintVarianceScoreData Member List

This is the complete list of members for RDKit::FingerprintVarianceScoreData, including all inherited members.

addVarianceData(int matchNumber, int permutationNumber, const std::vector< std::vector< RGroupMatch > > &matches, const std::set< int > &labels)RDKit::FingerprintVarianceScoreData
clear()RDKit::FingerprintVarianceScoreData
fingerprintVarianceGroupScore()RDKit::FingerprintVarianceScoreData
labelsToVarianceDataRDKit::FingerprintVarianceScoreData
numberOfMissingUserRGroupsRDKit::FingerprintVarianceScoreData
numberOfMoleculesRDKit::FingerprintVarianceScoreData
removeVarianceData(int matchNumber, int permutationNumber, const std::vector< std::vector< RGroupMatch > > &matches, const std::set< int > &labels)RDKit::FingerprintVarianceScoreData