Dear Markus,
I've updated the Getting Started In Python book to include a bit of
information about building and using 2D pharmacophore fingerprints in
the RDKit. The new document and PDF are in svn.
-greg
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Hi Markus,
At the moment there's not really any documentation for the Pharm2D
code that's particularly useful. There is some sample code for
generating fingerprints in
$RDBASE/rdkit/Chem/MolDb/FingerprintUtils.py, but it's not
particularly explanatory.
There are a couple of pictures how bit ids a
Hi Greg,
I am currently working my way through the Pharm2D Modules and have
some Questions:
1.) A '2DPharmacophore' is the non-hashed bitstring as described in
the Gobbi Paper cited in the doc files isn't it?
2.)Does rdkit.Chem.Pharm2D.Generate.Gen2DFingerprint yield the hashed
version descr
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