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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