Chem.Pharm2D

Package Chem :: Package Pharm2D |
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# Package Pharm2D

source code

    module with functionality for 2D pharmacophores

Submodules | [hide private]
Chem.Pharm2D.Generate: generation of 2D pharmacophores **Notes** - The terminology for this gets a bit rocky, so here's a glossary of what terms used here mean: 1) *N-point pharmacophore* a combination of N features along with distances betwen them. Chem.Pharm2D.Gobbi_Pharm2D: Definitions for 2D Pharmacophores from: Gobbi and Poppinger, Biotech. Chem.Pharm2D.LazyGenerator: lazy generator of 2D pharmacophore signature data Chem.Pharm2D.Matcher: functionality for finding pharmacophore matches in molecules See Docs/Chem/Pharm2D.triangles.jpg for an illustration of the way pharmacophores are broken into triangles and labelled. Chem.Pharm2D.SigFactory: contains factory class for producing signatures Chem.Pharm2D.Signature: data structures for holding 2D pharmacophore signatures See Docs/Chem/Pharm2D.triangles.jpg for an illustration of the way pharmacophores are broken into triangles and labelled. Chem.Pharm2D.Utils: utility functionality for the 2D pharmacophores code See Docs/Chem/Pharm2D.triangles.jpg for an illustration of the way pharmacophores are broken into triangles and labelled.