Re: QSAR - Search Sub-Structure

Sreedhar,

The chemID-plus web page at nih features a java based structure search
engine to search their database of structures. This search engine
supports sub-structure searches, similarity searches and exact structure
matches. Since one version of the search engine is based on java, some
of the components may be open source and available to the public.

Someone at nih may be able to provide additional information.

The first link below is to the search engine, the second is for the
contact information of the sis group.

http://chem.sis.nlm.nih.gov/chemidplus/cmplxqry.html?reset=true

http://sis.nlm.nih.gov/contactpage.html

I hope that this is helpful,

L. Mark Hall

Sreedhar Mallangi wrote:

> Hi All,
>
>
>
> We need to develop a web application (using J2EE) that would store
> chemical compounds and search them based on substructure. As my Client
> is non-profit organization, he does not want spend lot of money (so
> tools like MDL ISIS can not be used) Anyone who has information about
> the tools (especially if they are free or inexpensive) that can be sued
> in the above application, please send the information to me. If anyone
> has worked in a similar application, I would appreciate if he/she can
> share their experience and knowledge.
>
>
>
> Thanks and Regards,
>
> Sreedhar
>
Received on 2003-11-13 - 20:12 GMT