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RDKit
Open-source cheminformatics and machine learning.
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#include <RDGeneral/export.h>#include <cmath>#include <DataStructs/BitOps.h>#include <RDGeneral/Invariant.h>Go to the source code of this file.
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 | |