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 chemweb: A list for Chemical Applications of the Internet. To post to list: mailto:chemweb@ic.ac.uk Archived as: http://www.lists.ic.ac.uk/hypermail/chemweb/ To (un)subscribe, mailto:majordomo@ic.ac.uk the following message; (un)subscribe chemweb List coordinator, Henry Rzepa (mailto:rzepa@ic.ac.uk)