From: Egon W. <ego...@gm...> - 2010-02-24 16:05:11
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Hi Nina, On Wed, Feb 24, 2010 at 4:54 PM, Nina Jeliazkova <ni...@ac...> wrote: > You could use ambit smart parser at ambit.sourceforge.net , online demo with > quite large database is available at > > http://apps.ideaconsult.net:8180/ambit2/query/smarts?type=smiles&search=c1ccccc1&text=&max=100 Perhaps we can discuss a bit how we could merge in more LGPL-licensed AMBIT code based on the CDK library into the CDK library itself? Egon -- Post-doc @ Uppsala University Proteochemometrics / Bioclipse Group of Prof. Jarl Wikberg Homepage: http://egonw.github.com/ Blog: http://chem-bla-ics.blogspot.com/ PubList: http://www.citeulike.org/user/egonw/tag/papers |