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 StringsDescriptorHandlerBinarySkelSpheres DescriptorHandlerBinarySkelSpheres This descriptor is a binary representation of the Skeleton Spheres descriptor.DescriptorHandlerFFP512 DescriptorHandlerFlexophore DescriptorHandlerFlexophore 29 Jan 2009 MvK: Start implementation 15 Oct 2012 MvK renamed DescriptorHandler3DMM2PPInteract-->DescriptorHandlerFlexophore 19 Apr 2013 MvK major changes in Flexophore encoding decoding 25 Apr 2013 MvK Flexophore version changed --> 3.0 07 May 2013 MvK bug fixes in encoding.DescriptorHandlerFunctionalGroups 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