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 described in the paper? 3.)I obviously have to set up a SignatureFactory being used for the Fingerprinting? 4.)What is a 'Signature'? 5.)Is there any example code I just don't find? eg calculating a 2DPharmacophore from a mol and using these nice features like the rdkit.Chem.Pharm2D.SigFactory.GetBitDescriptionAsText() functions? Thanks in advance, Markus ------------------------------------------------------------------------------ Let Crystal Reports handle the reporting - Free Crystal Reports 2008 30-Day trial. Simplify your report design, integration and deployment - and focus on what you do best, core application coding. Discover what's new with Crystal Reports now. http://p.sf.net/sfu/bobj-july _______________________________________________ Rdkit-discuss mailing list [email protected] https://lists.sourceforge.net/lists/listinfo/rdkit-discuss
