CHEMINFORMATICS

Marvin and JChem version 5

19 February 2008

ChemAxon

ChemAxon has released version 5 of its cheminformatics toolkits, Marvin & JChem. The release sees major improvement in Marvin user friendliness, Markush enumeration and core development in JChem search, clustering and Oracle Cartridge performance.

Marvin and JChem is a suite of application programming interfaces (APIs) and graphic user interfaces (GUIs) used by life science informatics architects and developers to build chemically aware, platform independent and web-ready enterprise informatics systems. The functions of Marvin include structure and reaction editing, visualisation and structure-based property prediction; the functions of JChem include structure management and search, library enumeration and library profiling.

The Marvin 5 toolkit sees a completely re-factored GUI with more professional layout, ChemDraw and ISISDraw-like configuration options, structure drag-and-drop support and OLE support to improve integration with Microsoft Office applications. Structure-based predictions are extended with the addition of Markush enumeration.

JChem is improved with support for new table types for storing query structures and Markush libraries, the Oracle Cartridge toolkit has improved installation and major performance improvements. The maximum common substructure toolkit, libMCS, now handles much larger input sets (100,000+) more quickly and has increased chemical awareness to give more chemically meaningful results. 

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