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Interface Summary | |
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IChemCastList | |
IChemCastObject |
Class Summary | |
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AtomEnvironmentSimilarity | Calculates set of consensus atom environments and calculates Hellinger distance between query compound and consensus a.e. |
ChemCastDescriptor | |
ChemCastDescriptorsList | |
ChemCastObject | |
ChemCastObjectFactory | |
Dataset | |
DatasetDef | |
DefaultChemCastEditor | |
DescriptorSelection | |
Endpoint | |
Endpoints | TODO add description |
FingerprintSimilaritySubsets | |
MCSSSimilarity | |
NearestNeighborsSimilaritySubsets<T> | |
NN_MCSSSimilarity | |
NNAtomEnvironmentSimilaritySubsets | |
NNFingerprintSimilaritySubsets | |
SimilarityDef | |
SimilarityDefEditor | |
SimilarityDefs | |
SimilarityModel | |
SimilarityModels | |
SimilaritySubsets | |
Subset | |
Subsets | |
SubsetSimilarityMatrix | |
ToxTreeSimilarity |
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