Package rdkit :: Package Chem :: Package Pharm2D

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# Package Pharm2D

source code

    module with functionality for 2D pharmacophores

Submodules | [hide private]

- 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 | [hide private]

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