Package rdkit :: Package Chem :: Package Pharm2D

Package Pharm2D

module with functionality for 2D pharmacophores

Submodules

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rdkit.Chem.Pharm2D.Generate: generation of 2D pharmacophores
rdkit.Chem.Pharm2D.Gobbi_Pharm2D: Definitions for 2D Pharmacophores from: Gobbi and Poppinger, Biotech.
rdkit.Chem.Pharm2D.LazyGenerator
rdkit.Chem.Pharm2D.Matcher: functionality for finding pharmacophore matches in molecules
rdkit.Chem.Pharm2D.SigFactory: contains factory class for producing signatures
rdkit.Chem.Pharm2D.Utils: utility functionality for the 2D pharmacophores code

Functions

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DefaultSigFactory(fdefFile=None, minPointCount=2, maxPointCount=3, bins=[(2, 3), (3, 4), (4, 5), (5, 6), (6, 7), (7, 8), (8, 100)]) source code

Variables

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__package__ = None

Imports: Generate, Gobbi_Pharm2D, Matcher, SigFactory, Utils