Hi, Based on the awesome CDK, we built a free QSAR web-service to predict chemical compounds: http://coffer.informatik.uni-mainz.de
Please give it a try if you like. Kind regards (and sorry for the shameless ad), Martin Gütlein P.S.: The corresponding paper can be found here: http://jcheminf.springeropen.com/articles/10.1186/s13321-016-0173-z -- Dr. Martin Gütlein Phone: +49 (0)6131 39 23336 (office) +49 (0)177 623 9499 (mobile) Email: guetl...@uni-mainz.de ------------------------------------------------------------------------------ Check out the vibrant tech community on one of the world's most engaging tech sites, SlashDot.org! http://sdm.link/slashdot _______________________________________________ Cdk-user mailing list Cdk-user@lists.sourceforge.net https://lists.sourceforge.net/lists/listinfo/cdk-user
