rdkit.Chem.Pharm2D

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.Signature: data structures for holding 2D pharmacophore 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