ChemAxon Launches JChem 3.2 with Added .NET Compatibility and new GUI's for Canonicalization, Library Enumeration and Clustering
Product News Nov 22, 2006
ChemAxon, a software solutions provider for life sciences has announced the release of version 3.2 of its Java based cheminformatics suite, JChem.
As the first commercially available Java based cheminformatics toolkit technology, JChem provides an OS independent platform for building cheminformatics capabilities for life science research.
Core functions of the toolkit include, structure editing and visualization, property prediction, structure management and search, library enumeration and profiling.
The release of version 3.2 sees many new features and improvements including .NET support, new GUI's and an installer to simplify installation and operation as well as new reaction search functionalities.
As a toolkit based development platform, all JChem functionality is available via a full application programming interface (API) which allows web and application developers and command line users to completely configure and control only those features they want to use.
The arrival of the 3.2 release sees full API access from the .NET environment which, with our native Java support, allows seamless integration within all major web and intranet environments.
For the end user ChemAxon have responded to the need for more readily deployable solutions with the inclusion of an installer and the launch of new graphic user interfaces (GUI's).
libMCS quickly clusters large sets according to maximum common substructure, the libMCS GUI allows users to navigate and filter within an interactive dendogram and hierarchical tree viewer.
The Reactor GUI makes ChemAxon's novel library enumeration technology more easily deployable by taking users through the steps and options available during synthetically feasible virtual library design.
The Standardizer GUI helps users build custom business rules for structure canonicalization, beautification and structure conversion useful during compound registration and post processing.
For core search new reaction searching functions include reaction similarity search by different reaction, reactant and product similarity measures as well as reacting centre bond query features for structural reaction searches.
For chemical search, mixture, formulation and component brackets can now be used and many other refinements and options are added including flexible search options like 'vague bond' and tautomer searching.