ChemAxon launches Marvin and JChem version 5.1; name to structure generation, OLE 2 and JavaScript integration

19 Aug 2008

Product news

ChemAxon, a software solutions provider for cheminformatics today announced the launch of version 5.1 of their cheminformatics toolkits, Marvin & JChem. As well as other improvements, the release sees the introduction of IUPAC name import, support for OLE 2 format useful for integrating with Microsoft Office applications.

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.

A key development in the 5.1 release is the addition of name to structure generation in the IUPAC Naming Calculator Plugin allowing batches of chemical names to be stored as structures and found during chemical search. The new functionality is described and evaluated in a American Chemical Society National meeting presentation today (visit the article webpage for more information).

Improved integration features in the 5.1 release include OLE 2 support to extend interoperability with Microsoft Office applications and JavaScript support for ChemAxon’s structure based calculation language, Chemical Terms. The JavaScript support can enable dynamic interaction between the Chemical Terms calculation and the drawn chemical structure, even during structure editing.

New search features include visualization and search of position variation bonds, useful in patent structure search as well as improvements in tautomer handling to give more correct results for registration and search.

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

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High-Throughput ScreeningHigh-throughput screening (HTS) is an automated drug discovery technique for identification of active compounds against a compound library. Use HTS readers and integrated assay preparation / analysis workstations to screen your compounds. Identify active compounds against various HTS libraries, including membranes, proteins and peptides and HTS cell lines. Find the best high-throughput screening products in our peer-reviewed product directory: compare products, check customer reviews and receive pricing direct from manufacturers.Chem / BioinformaticsCheminformatics and bioinformatics are computational techniques used in chemistry and biology, respectively, for data acquisition, processing and storage. Cheminformatics focuses on compound information, whereas bioinformatics is mainly applied to analysis and modeling of genomics, genetic and sequencing information. Hardware and software is available for data acquisition, analysis, management and storage.Molecular Recognition SoftwareMolecular recognition software is widely used to analyze DNA, RNA, proteins and chemicals. The software can be useful for graphical viewing, comparative analyses, high-throughput screening, genomics, proteomics and phylogenetics. Molecular recognition software uses bioinformatics tools and analyses such as BLAST searches and generates structural predictions, 3D structures and sequencing information.Compound LibrariesCompound libraries, or chemical libraries, are used in drug discovery for the identification of potential therapeutics compounds. Used in conjunction with high-throughput screening, the libraries of stored compounds are often generated for specific purposes as a drug target or disease model. Cheminformatics are commonly used when designing a compound library and software can be used to analyze the screening process.  
ChemAxon launches Marvin and JChem version 5.1; name to structure generation, OLE 2 and JavaScript integration