Thanks for replying. I browsed through cdk and found that i can use Fingerprinter and UniversalIsomorphismTester for substructure searching in my database(which currently has 50 compunds). How can I use this along with JCHEMPAINT so that if i load a mol file of query compound, i get all the similar compounds from the database. Right now, I can search a compund using cas no as query from my database through front end(html + jsp).
Stefan Kuhn-3 wrote: > > On Saturday 24 October 2009 05:14:43 ramakaalia wrote: >> Hi >> I am new to java and cdk. I am building a chemical database using mysql >> and >> developing a web application for it. For enabling sub structure searching >> in the database, what should i use - cdk or marvin sketch. > MarvinSketch would only do the structure input. Alternative for this would > be > JChemPaint. For the substructure search as a such, you can use cdk code. > You > can try a cdk based substructure search at www.nmrshiftdb.org - tell me if > you want some info about this. > Stefan >> And why? Any >> help or suggestion is appreciated. Sorry if the question sounds absurd. > > > > -- > Stefan Kuhn B. Sc. M. A. > Software Engineer in the Chemoinformatics and Metabolism Team > European Bioinformatics Institute (EBI) > Wellcome Trust Genome Campus > Hinxton, Cambridge CB10 1SD UK > Phone +44 1223 49 2657 > Fax +44 (0)1223 494 468 > > ------------------------------------------------------------------------------ > Come build with us! The BlackBerry(R) Developer Conference in SF, CA > is the only developer event you need to attend this year. Jumpstart your > developing skills, take BlackBerry mobile applications to market and stay > ahead of the curve. Join us from November 9 - 12, 2009. Register now! > http://p.sf.net/sfu/devconference > _______________________________________________ > Cdk-user mailing list > Cdk-user@lists.sourceforge.net > https://lists.sourceforge.net/lists/listinfo/cdk-user > > -- View this message in context: http://www.nabble.com/making-a-chemical-database-tp26036037p26057047.html Sent from the cdk-user mailing list archive at Nabble.com. ------------------------------------------------------------------------------ Come build with us! The BlackBerry(R) Developer Conference in SF, CA is the only developer event you need to attend this year. Jumpstart your developing skills, take BlackBerry mobile applications to market and stay ahead of the curve. Join us from November 9 - 12, 2009. Register now! http://p.sf.net/sfu/devconference _______________________________________________ Cdk-user mailing list Cdk-user@lists.sourceforge.net https://lists.sourceforge.net/lists/listinfo/cdk-user
