CHEMINFORMATICS

Marvin and JChem version 5.1

22 August 2008

ChemAxon

ChemAxon has launched version 5.1 of its cheminformatics toolkits, Marvin and JChem. As well as other improvements, the release sees the introduction of IUPAC name import, support for OLE 2 format useful for integrating with Microsoft Office applications.

Marvin and JChem is a software 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. Marvin includes structure and reaction editing, visualisation and structure-based property prediction; JChem includes structure management and search, library enumeration and library profiling.

A key development in the 5.1 release is the addition of name to structure generation in the IUPAC Naming Calculator Plugin allowing batches of chemical names to be stored as structures and found during chemical search.

Improved integration features in the 5.1 release include OLE 2 support to extend interoperability with Microsoft Office applications and JavaScript support for ChemAxon’s structure based calculation language, Chemical Terms. The JavaScript support can enable dynamic interaction between the Chemical Terms calculation and the drawn chemical structure, even during structure editing. 

New search features include visualisation and search of position variation bonds, useful in patent structure search as well as improvements in tautomer handling to give more correct results for registration and search.

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