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ChemSpider.com to Incorporate More OpenEye Software
Publish Date : 12/12/2007 5:38:00 AM   Source : Software and Operating Systems News Onlypunjab.com

OpenEye Scientific Software, Inc., the developer of innovative molecular modeling and cheminformatics solutions for drug discovery, and ChemZoo, Inc., the provider of online chemistry software and services for the chemistry community, announced today they had entered into an agreement that will allow the incorporation of a number of OpenEye’s products into ChemZoo’s online chemistry database and property prediction service, ChemSpider.

OpenEye’s Lexichem has already been used to generate IUPAC names for compounds in the ChemSpider repository. In the future, Lexichem will also be used to convert IUPAC or other chemical names provided by users of the ChemSpider site into chemical structures in real time. Ogham will provide 2D depictions of chemical structures. Filter will calculate physicochemical properties for compounds in the ChemSpider repository, while Quacpac will allow the normalization of protomeric and tautomeric forms. Lastly, OEChem will be the engine behind the manipulation and conversion of standard molecule file formats.

“We are very pleased to contribute to ChemZoo’s vision of providing structure-based access to federated chemistry databases in a chemist-friendly environment via ChemSpider,” said Dr. Matthew Stahl, Senior Vice President of OpenEye Scientific Software, Inc. “We’ve allowed the academic community free access to our products for 10 years, as we have continued our research towards better modeling and cheminformatics tools. This new partnership is fully in line with that philosophy: Chemists from around the globe will now have free access to a central repository with efficient data-mining and rendering tools, partly powered by our technology. This is a great satisfaction for OpenEye.”

“The ChemSpider service presently offers chemists access to a database of nearly 18 million compounds with text and structure/substructure searching capabilities,” continued Dr. Antony Williams, Founder and President of ChemZoo, Inc. “The incorporation of OpenEye’s technologies will allow us to add important capabilities to both our transactional services as well as to enhance and improve the data within the ChemSpider repository. The ChemSpider service strives to become the foundation of an online chemical structure centric community for chemists. Chemists around the world can already add their own structures and analytical data to the database for public review and access. The near future will continue to enhance our collaborative and enabling environment for chemists.”

About OpenEye

OpenEye Scientific Software Inc. is a privately held company headquartered in Santa Fe, New Mexico, with offices in Boston, Massachusetts, and Strasbourg, France. It was founded in 1997 to develop large-scale modeling applications and toolkits - programming libraries suitable for custom development. Primarily aimed towards drug discovery and design, areas of application include chemical informatics, structure generation, docking, shape comparison, charge & electrostatics and visualization. The software is designed for scientific rigor, as well as speed, scalability and platform independence. OpenEye software is distributable across multiple processors, supports 64-bit processing, and runs on Linux, Windows and Mac OS X, as well as HP, IBM, SGI and SUN flavors of UNIX. For further information on the company and its products, see www.eyesopen.com.

About ChemZoo

ChemZoo, Inc. was founded with the intention of providing online chemistry software and services to help build a chemical structure centric community for chemists. Their first offering, ChemSpider, is a chemistry search engine built with the intention of aggregating and indexing chemical structures and their associated information into a single searchable repository and making it available to everybody, at no charge. Founded in 2007 and located in Raleigh, North Carolina, ChemSpider intends to become a facilitator in the exchange of structure-based information between chemists worldwide



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