Hmmm...sounds like something that is not specific to RDKit...I might think about adding this to cinfony. Especially if you send a patch :-)
Noel 2008/8/17 markus <[email protected]>: > Hi There, > I wonder if it could be possible to access the Pubchem Power User > Gateway directly via RDKit. > As there is already some XML based interfacing to Pymol and Pubmed, this > would be a nice additional tool. > I often have several compounds for which I have to know if there's any > Bioactivity documented at PubChem. > Until now I have to browse the Pubchem home, search for similar mols, > check out the assay-ids, IC50s.... :-( > Could that be done in a way like the Pubmed.PubmedUtils stuff? > > Cheers, Markus > > > > > ------------------------------------------------------------------------- > This SF.Net email is sponsored by the Moblin Your Move Developer's challenge > Build the coolest Linux based applications with Moblin SDK & win great prizes > Grand prize is a trip for two to an Open Source event anywhere in the world > http://moblin-contest.org/redirect.php?banner_id=100&url=/ > _______________________________________________ > Rdkit-discuss mailing list > [email protected] > https://lists.sourceforge.net/lists/listinfo/rdkit-discuss >
