RDKit: MACCS.h File Reference

| RDKit Open-source cheminformatics and machine learning.

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Namespaces | Functions | Variables
MACCS.h File Reference
`#include <RDGeneral/export.h>`
`#include <string>`

Go to the source code of this file.

## Namespaces
namespace | RDKit
| Std stuff.
namespace | RDKit::MACCSFingerprints

## Functions
RDKIT_FINGERPRINTS_EXPORT ExplicitBitVect * | RDKit::MACCSFingerprints::getFingerprintAsBitVect (const ROMol &mol)
| returns the MACCS keys fingerprint for a molecule

## Variables
const std::string | RDKit::MACCSFingerprints::maccsFingerprintVersion = "2.0.0"