Patrik Rydberg, David Gloriam and Lars Olsen The SMARTCyp cytochrome P450 metabolism prediction server Bioinformatics (2010) 26 (23): 2988-2989 DOI: 10.1093/bioinformatics/btq584 http://bioinformatics.oxfordjournals.org/content/26/23/2988.abstract
The paper shows the web implementation of the SMARTCyp method as well as improvements to the method. It uses the JChemPaint applet for molecular drawing, and CDK for molecule input, SMARTS matching and perception of topological information, as well as rendering of output. The server and downloadable jar file and source code is available at http://www.farma.ku.dk/smartcyp/ The original method and java program was published earlier this year: Patrik Rydberg, David E. Gloriam, Jed Zaretzki, Curt Breneman and Lars Olsen SMARTCyp: A 2D Method for Prediction of Cytochrome P450-Mediated Drug Metabolism ACS Med. Chem. Lett., 1, 96-100 DOI: 10.1021/ml100016x http://pubs.acs.org/doi/abs/10.1021/ml100016x ------------------------------------------------------------------------------ Increase Visibility of Your 3D Game App & Earn a Chance To Win $500! Tap into the largest installed PC base & get more eyes on your game by optimizing for Intel(R) Graphics Technology. Get started today with the Intel(R) Software Partner Program. Five $500 cash prizes are up for grabs. http://p.sf.net/sfu/intelisp-dev2dev _______________________________________________ Cdk-user mailing list Cdk-user@lists.sourceforge.net https://lists.sourceforge.net/lists/listinfo/cdk-user
