rdkit.Chem.Pharm2D.Gobbi_Pharm2D

Package rdkit :: Package Chem :: Package Pharm2D :: Module Gobbi_Pharm2D |
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# Module Gobbi_Pharm2D

source code

    Definitions for 2D Pharmacophores from:
    Gobbi and Poppinger, Biotech. Bioeng. _61_ 47-54 (1998)

Functions | [hide private]
_init() | source code

Variables | [hide private]
| fdef = ``'``\nDefineFeature Hydrophobic [$([C;H2,H1](!=*)[C;H2,H1]``...``
| defaultBins = ``[``(`2`,` 3`)``,` `(`3`,` 4`)``,` `(`4`,` 5`)``,` `(`5`,` 6`)``,` `(`6`,` 7`)``,` `(`7`,` 8`)``,``...``
| factory = `<rdkit.Chem.Pharm2D.SigFactory.SigFactory object at `...``

Imports: Chem, SigFactory, ChemicalFeatures

Variables Details | [hide private]

  ### fdef Value:
      '''
      DefineFeature Hydrophobic [$([C;H2,H1](!=*)[C;H2,H1][C;H2,H1][$([C;H1,
      H2,H3]);!$(C=*)]),$(C([C;H2,H3])([C;H2,H3])[C;H2,H3])]
        Family LH
        Weights 1.0
      EndFeature
      DefineFeature Donor [$([N;!H0;v3]),$([N;!H0;+1;v4]),$([O,S;H1;+0]),$([
      n;H1;+0])]
      ...

  ### defaultBins Value:
      [(2, 3), (3, 4), (4, 5), (5, 6), (6, 7), (7, 8), (8, 100)]

  ### factory Value:
      <rdkit.Chem.Pharm2D.SigFactory.SigFactory object at 0x9d9d88c>