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Package rdkit ::
Package Chem
:: Package Pharm2D
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Package Pharm2D
source code
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.Signature
:
data structures for holding 2D pharmacophore 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
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