Hi, recently Nina Jeliazkova announced the release of the ToxTree program to predict the toxicological hazard class of a molecule.
A web service is now available that uses ToxTree as the backend. A PHP based client is available at http://blue.chem.psu.edu/~rajarshi/code/java/cdkws.html#tox The service can also be directly accessed via the browser by doing http://blue.chem.psu.edu/tox/services/toxTreeWS?method=getCramerClass&smiles=c1ccccc1 (for the example of benzene) ------------------------------------------------------------------- Rajarshi Guha <[EMAIL PROTECTED]> <http://jijo.cjb.net> GPG Fingerprint: 0CCA 8EE2 2EEB 25E2 AB04 06F7 1BB9 E634 9B87 56EE ------------------------------------------------------------------- A method of solution is perfect if we can forsee from the start, and even prove, that following that method we shall attain our aim. -- Leibnitz ------------------------------------------------------- Using Tomcat but need to do more? Need to support web services, security? Get stuff done quickly with pre-integrated technology to make your job easier Download IBM WebSphere Application Server v.1.0.1 based on Apache Geronimo http://sel.as-us.falkag.net/sel?cmd=lnk&kid=120709&bid=263057&dat=121642 _______________________________________________ Cdk-user mailing list [email protected] https://lists.sourceforge.net/lists/listinfo/cdk-user
