Subject: Re: CCL:SAR database software (fwd)

From: Ferenc Csizmadia <fcsiz|at|chemaxon.com>
Date: Wed, 14 Jul 2004 15:36:12 +0200

Oliver,

You can consider using JChem Base 
(http://www.chemaxon.com/products.html#JChemBase) , which is a Java tool 
for the development of applications that supports chemical registration 
and fast structure searching. JChem Base can integrate a variety of 
database systems (Oracle, MySQL, MS SQL Server, PostrgeSQL, etc.) with 
web interfaces and provides substructure, similarity, and exact search 
engine. Structures are stored in database tables. Structural and 
non-structural data can be combined. Several file formats, like SMILES, 
SDF, and RDF can be imported and exported. The system includes Marvin, a 
Java based chemical editor and viewer applet and image generation 
functionality.
Some examples: http://www.jchem.com/examples.html

We are just putting together a special package for academic institutions 
that would provide all of our tools (not just JChem Base) free with some 
restrictions. Please let me know if you are interested.

Best regards,
Ferenc

-- 
Dr. Ferenc Csizmadia
ChemAxon Ltd.
http://www.chemaxon.com

>we are looking for a (ideally free, of course) database software for the
>storage and the work with SAR data. Ideally the program should be able to
>o store 3D structures of inhibitors
>o perform substructure searches
>o provide a web interface for online access (?)
>
>Any hints are highly appreciated.
>
>Thanks,
>
>Oliver
>
>_________________________
>
>Oliver Hucke, Dr.
>
>University of Washington
>Dept. of Biochemistry
>Seattle, WA 98195
>_________________________
>
>
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