ChemAxon Launches Marvin and JChem Version 5.2; Web Services, native .NET API, Homology Groups, 3D Alignment and Structural Frameworks

April 15, 2009

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

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

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.

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
storage and search.

To freely evaluate ChemAxon’s Marvin, JChem and Instant JChem please
visit our website.

About ChemAxon

ChemAxon is a leader in providing cheminformatics software development
platforms and applications for the biotechnology, pharmaceutical and
agrochemical industries. With core capabilities for structure visualization,
search and management, property prediction, virtual synthesis, screening and
drug design, ChemAxon focuses upon active interaction with users and software
portability to create powerful, cost effective cross platform solutions and
programming interfaces to power modern cheminformatics and chemical
communication. For more information please visit http://www.chemaxon.com.

SOURCE ChemAxon Ltd.

Source: newswire

comments powered by Disqus