JChem 2.0.1 released

[Ferenc Csizmadia]

Apologies for multiple postings.

JChem 2.0.1 has been released. The package contains Java applications
and software development tools for chemistry. The software
is portable (runs under Windows, Mac OS X, Unix, etc.)

JChem Base provides chemical database searching capabilities by
integration into relational database engines supporting SQL.

Modules:

- Standardizer (new):
   Structure canonization tool converting molecules from different
   formats into standard representation.

- Screen (new):
   Screening based on pharmacophore or chemical fingerprints or other
   descriptors.

- Reactor (new):
   Generating reaction products from reaction equations and
   reactants.

- Fragmenter (new):
   Generating building blocks based on Recap rules from molecule
   libraries.

- Metabolizer (new):
   Metabolism simulation using user-defined transformation rules.

- JKlustor: clustering and diversity calculations based on molecular
   fingerprints or other properties.

The software can be tried/downloaded at
http://www.chemaxon.com/products.html

Online demos:
http://www.jchem.com/examples.html

Regards,
Ferenc

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




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