RDKit
Open-source cheminformatics and machine learning.
MetricFuncs.h File Reference
#include <cmath>
#include <DataStructs/BitOps.h>

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Namespaces

namespace  RDDataManip

Functions

template<typename T1 , typename T2 >
double RDDataManip::EuclideanDistanceMetric (const T1 &v1, const T2 &v2, unsigned int dim)
 return the Euclidean distance between two vectors
template<typename T1 , typename T2 >
double RDDataManip::TanimotoDistanceMetric (const T1 &bv1, const T2 &bv2, unsigned int dim)
 return the Tanimoto distance (1-TanimotoSimilarity) between two bit vectors
template<typename T1 , typename T2 >
double RDDataManip::TanimotoSimilarityMetric (const T1 &bv1, const T2 &bv2, unsigned int dim)
 return the Tanimoto similarity between two bit vectors
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