[Cdk-devel] Fragment based fingerprint?
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From: Egon Willighagen <egonw@us...> - 2005-12-17 13:12:59
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Hi all, some time back, there was some discussion on using fragment based fingerprints... OpenBabel has a list of fragments, not optimized for whatever purpose. But I was wondering, did anyone contribute any code yet to the CDK? I'm about to write some code to count the number amino acids in small organic compounds, and I'm interested in cross checking APIs. Egon -- egonw@... Blog: http://chem-bla-ics.blogspot.com/ GPG: 1024D/D6336BA6 |