Chemical Data Processing Library C++ API - Version 1.1.1
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Provides functions for the calculation of various similarity measures. More...
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Namespaces | |
CDPL | |
The namespace of the Chemical Data Processing Library. | |
CDPL::Descr | |
Contains classes and functions related to the generation and processing of pharmacophore and molecule descriptors. | |
Functions | |
CDPL_DESCR_API double | CDPL::Descr::calcTanimotoSimilarity (const Util::BitSet &bs1, const Util::BitSet &bs2) |
Calculates the Tanimoto Similarity Measure [CITB] for the given bitsets bs1 and bs2. More... | |
CDPL_DESCR_API double | CDPL::Descr::calcCosineSimilarity (const Util::BitSet &bs1, const Util::BitSet &bs2) |
Calculates the Cosine Similarity Measure [WCOS] for the given bitsets bs1 and bs2. More... | |
CDPL_DESCR_API double | CDPL::Descr::calcEuclideanSimilarity (const Util::BitSet &bs1, const Util::BitSet &bs2) |
Calculates the Euclidean Similarity Measure [GSIM] for the given bitsets bs1 and bs2. More... | |
CDPL_DESCR_API double | CDPL::Descr::calcManhattanSimilarity (const Util::BitSet &bs1, const Util::BitSet &bs2) |
Calculates the Manhattan Similarity Measure [GSIM] for the given bitsets bs1 and bs2. More... | |
CDPL_DESCR_API double | CDPL::Descr::calcDiceSimilarity (const Util::BitSet &bs1, const Util::BitSet &bs2) |
Calculates the Dice Similarity Measure [GSIM] for the given bitsets bs1 and bs2. More... | |
CDPL_DESCR_API double | CDPL::Descr::calcTverskySimilarity (const Util::BitSet &bs1, const Util::BitSet &bs2, double a, double b) |
Calculates the Tversky Similarity Measure [GSIM] for the given bitsets bs1 and bs2. More... | |
CDPL_DESCR_API std::size_t | CDPL::Descr::calcHammingDistance (const Util::BitSet &bs1, const Util::BitSet &bs2) |
Calculates the Hamming Distance [WHAM, CITB] between the bitsets bs1 and bs2. More... | |
CDPL_DESCR_API double | CDPL::Descr::calcEuclideanDistance (const Util::BitSet &bs1, const Util::BitSet &bs2) |
Calculates the Euclidean Distance [CITB] between the bitsets bs1 and bs2. More... | |
Provides functions for the calculation of various similarity measures.