The paper uses CDKs fingerprint module to generate test data from the ZINC database. It was published in Algorithms for Molecular Biology and can be found at http://www.almob.org/content/5/1/9 . It is an extended paper which was originally at WABI 2009.
doi:10.1186/1748-7188-5-9 Thomas ------------------------------------------------------------------------------ Beautiful is writing same markup. Internet Explorer 9 supports standards for HTML5, CSS3, SVG 1.1, ECMAScript5, and DOM L2 & L3. Spend less time writing and rewriting code and more time creating great experiences on the web. Be a part of the beta today http://p.sf.net/sfu/msIE9-sfdev2dev _______________________________________________ Cdk-user mailing list [email protected] https://lists.sourceforge.net/lists/listinfo/cdk-user
