BUDAPEST, Hungary, April 15 /PRNewswire/ -- ChemAxon, a software solutions provider for cheminformatics today announced the launch of version 5.2 of their cheminformatics toolkits, Marvin & JChem. The release sees many new functionalities added, new integration options and improvements in search performance.
Marvin & JChem is a software suite of application programming interfaces (API's) and graphic user interfaces (GUI's) 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, visualization 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 our 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.
In the patent space we introduce new features for drawing and searching Markush structures, including support for homology groups and repeating units. Our Markush project works toward robust support for Chemical IP, including identification of overlap of Markush libraries without enumeration.
Developments of core search features include a new chemical hashed
fingerprint to improve search performance and added support for polymer
|SOURCE ChemAxon Ltd.|
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