September 8, 2006
CHEMNAVIGATOR SUPPORTS NEW WEB-BASED CHEMICAL STRUCTURE LOOK-UP SERVICE

We are pleased to announce the availability of a new web-based structure look-up service developed at the National Cancer Institute (NCI) Computer Aided Molecular Design (CADD) Group headed by Dr. Marc Nicklaus. The Chemical Structure Lookup Service (CSLS) is a new web-based system for locating chemical structures in over 70 different public and commercial data sources. The CSLS system stores information on over 30 million chemical structures and provides a simple search interface for looking up chemicals by specific structure as well as by parent structure, and by various identifiers.

The goal in creating CSLS was to provide one publicly accessible system that cross-references multiple cheminformatics data sources based on chemical structure. Scientists can use this system to find what information is available about a specific chemical structure or a list of structures by quickly identifying databases in which these structures occurs.

ChemNavigator has agreed to host a site mirror for the CSLS system to ensure there are ample compute resources available for scientists using the system. In addition, ChemNavigator's iResearch Library structure data files of about 20 million unique structures are included in the CSLS system. The iResearch Library data provides scientists with an indication of whether a chemical substance is available commercially.

The URLs of the two mirrors are:

Frederick, MD: http://cactus.nci.nih.gov/lookup/

San Diego, CA: http://cholla.chemnavigator.com/lookup/

More databases are being added, and the lookup system itself is also still evolving. However, we feel that it has reached a stage where it can be made available to the public. Nevertheless, bugs are always possible and user-friendliness can always be improved, so we welcome all feedback on the service.


For more information contact:
Mr. Scott Hutton, President & CEO
here

Dr. Marc Nicklaus, Head, CADD Group, LMC, National Cancer Institute
mn1@helix.nih.gov
+1 301-846-5903




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