CCL: seek software about "rule 5"



 Sent to CCL by: Szabolcs Csepregi [scsepregi**chemaxon.com]
 Hi Steven,
 Have a look at Evaluator from ChemAxon. A sample web application using
 Lipinski's Rule of Five filtering can be found at:
 http://www.chemaxon.com/jchem/examples/jsp1_x/index.jsp.
 Open the NCI
 database table and go to the query page. You will see some example
 filters there; you can modify them or write your own ones. That sample
 application uses the Java-based Evaluator software for calculating the
 Chemical Terms expressions on the fly, but Evaluator can also be used
 with files from command line, and you can build it in your own
 application using the API.
 Evaluator doc: http://www.chemaxon.com/jchem/doc/user/Evaluator.html
 (ChemAxon offers FREE academic licenses)
 Gyorgy
 Gyorgy Pirok
 CTO
 ChemAxon Ltd.
 1037 Budapest
 Maramaros koz 3/A
 Tel: +36 (1) 453-2661
 Fax: +36 (1) 453-2659
 --
 Szabolcs Csepregi, PhD
 Cheminformatics Scientist, ChemAxon Ltd.
 http://www.chemaxon.com
 Skype: szabolcs.csepregi
 Tel: +36 1 3878564   Cell: +36 20 4219863   Fax: +36 1 4532659