RDKit
Open-source cheminformatics and machine learning.
MACCS.h File Reference

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Namespaces

 RDKit
 Std stuff.
 
 RDKit::MACCSFingerprints
 

Functions

ExplicitBitVectRDKit::MACCSFingerprints::getFingerprintAsBitVect (const ROMol &mol)
 returns the MACCS keys fingerprint for a molecule More...
 

Variables

const std::string RDKit::MACCSFingerprints::maccsFingerprintVersion = "2.0.0"