Package com.im.df.api.chem
API Status: 3 - Under development
Provides the chemically oriented interfaces used in other parts of DIF.
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Interface Summary Interface Description DissimilarityCalculator Dissimilarity calculator for calculating dissimilarity between query and target molecule. -
Class Summary Class Description ChemUtils Utilities related to chemical classes.ChemUtils.MolCoreDescriptor DissimilarityCalculatorFactory MarvinStructure A representation of a molecular structure that uses the ChemAxonMolecule
as its native format.Structure<T> A molecular structure based on some particular implementation.