Package com.actelion.research.chem.descriptor
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Interface Summary Interface Description DescriptorConstants DescriptorHandler<T,U> DescriptorHandler is the base Interface for any molecular descriptor handling StereoMolecules or ReactionsDescriptorHandlerFactory ISimilarityCalculator<T> ISimilarityHandlerFactory -
Class Summary Class Description AbstractDescriptorHandlerFP<U> AbstractDescriptorHandlerLongFP<U> DescriptorEncoder DescriptorEncoder encodes int[] based descriptors into byte arrays that may be used to instantiate StringsDescriptorHandlerFFP512 DescriptorHandlerFlexophore DescriptorHandlerFlexophoreDescriptorHandlerFunctionalGroups DescriptorHandlerHashedCFp DescriptorHandlerHashedPharmSphere DescriptorHandlerLongCFP DescriptorHandlerLongFFP512 DescriptorHandlerLongPFP512 DescriptorHandlerPFP512 DescriptorHandlerPharmPath DescriptorHandlerReactionFP DescriptorHandlerSkeletonSpheres DescriptorHandlerStandard2DFactory DescriptorHandlerStandardFactory DescriptorHelper DescriptorInfo FingerPrintGenerator Generator of a path-based Fingerprint Not thread safe!FingerPrintGeneratorPharmGraph Generator of a path-based Fingerprint Not thread safe!SimilarityCalculatorInfo