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.