RGroupFingerprintScore.h File Reference

#include "RGroupMatch.h"
#include <vector>

Go to the source code of this file.

Classes
struct	RDKit::VarianceDataForLabel
struct	RDKit::FingerprintVarianceScoreData

Namespaces
namespace	RDKit
	Std stuff.

Functions
RDKIT_RGROUPDECOMPOSITION_EXPORT double	RDKit::fingerprintVarianceScore (const std::vector< size_t > &permutation, const std::vector< std::vector< RGroupMatch > > &matches, const std::set< int > &labels, FingerprintVarianceScoreData *fingerprintVarianceScoreData=nullptr)