CHEMINFORMATICS

Marvin and JChem v5.2

29 April 2009

ChemAxon

ChemAxon has launched v5.2 of its cheminformatics toolkits Marvin and JChem, with many new functionalities added, new integration options and improvements in search performance.

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.

For structure-based calculation, new Calculator Plugins are added: Flexible 3D Alignment Plugin builds on ChemAxon's 3D expertise allowing multiple molecules to be aligned to each other; and the Structural Frameworks Plugin provides clustering capabilities, using various ring models and Bemis-Murcko.  All Calculator Plugins are integrated and available throughout the JChem suite.

For developers we launch new integration interfaces: JChem Web Services provide SOAP access to JChem, extending the environments that can integrate JChem (C#, .NET, Javascript, Perl, Python, etc).  A new native .NET API is made available for direct (bridgeless) access to the JChem API from .NET.

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