Just for the sake of completeness, I would like to mention that Mark Rijnbeek here is using his custom adaptation of Pubchem fingerprints for his OrChem work. As he told me, he used pubchem fingerprint definition as a starting point but now ends up with something else. I just mention this to ensure that if people want to do some work on Fingerprints, it would be good to join forces.
Cheers, Chris Egon Willighagen wrote: > Hi all, > > Rajarshi wrote a CDK implementation of the PubChem fingerprints, which > has just been applied to the master branch of git, and should be > available as jar from Nightly tomorrow. > > Egon > > -- Dr. Christoph Steinbeck Head of Chemoinformatics and Metabolism European Bioinformatics Institute (EBI) Wellcome Trust Genome Campus Hinxton, Cambridge CB10 1SD UK Phone +44 1223 49 2640 What is man but that lofty spirit - that sense of enterprise. ... Kirk, "I, Mudd," stardate 4513.3.. ------------------------------------------------------------------------------ The NEW KODAK i700 Series Scanners deliver under ANY circumstances! Your production scanning environment may not be a perfect world - but thanks to Kodak, there's a perfect scanner to get the job done! With the NEW KODAK i700 Series Scanner you'll get full speed at 300 dpi even with all image processing features enabled. http://p.sf.net/sfu/kodak-com _______________________________________________ Cdk-user mailing list Cdk-user@lists.sourceforge.net https://lists.sourceforge.net/lists/listinfo/cdk-user
