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Package rdkit ::
Package Chem
:: Package Fingerprints
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Package Fingerprints
source code
Submodules
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rdkit.Chem.Fingerprints.ClusterMols
:
utility functionality for clustering molecules using fingerprints includes a command line app for clustering
rdkit.Chem.Fingerprints.DbFpSupplier
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Supplies a class for working with fingerprints from databases...
rdkit.Chem.Fingerprints.FingerprintMols
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utility functionality for fingerprinting sets of molecules includes a command line app for working with fingerprints and databases
rdkit.Chem.Fingerprints.MolSimilarity
:
utility functionality for molecular similarity includes a command line app for screening databases
rdkit.Chem.Fingerprints.SimilarityScreener
:
class definitions for similarity screening
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