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 DescriptorHandlerIntVector<U> This is a descriptor handler, where the input object is an integer array that typically represents counts of some sort.DescriptorHandlerLongCFP DescriptorHandlerLongFFP512 DescriptorHandlerLongPFP512 DescriptorHandlerPFP512 DescriptorHandlerReactionFP DescriptorHandlerSkeletonSpheres DescriptorHandlerStandard2DFactory DescriptorHandlerStandardFactory DescriptorHelper DescriptorInfo FingerPrintGenerator Generator of a path-based Fingerprint Not thread safe!SimilarityCalculatorDoubleArray SimilarityCalculatorDoubleArray Created by korffmo1 on 12.07.18.SimilarityCalculatorInfo