RDKit: RGroupFingerprintScore.h File Reference

| RDKit Open-source cheminformatics and machine learning.

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Classes | Namespaces | Functions
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)