July 11, 2006

ChemDB at University of California, Irvine

ChemDB is a public database of small molecules available on the Web. ChemDB is built using the digital catalogs of over a hundred vendors and other public sources and is annotated with information derived from these sources as well as from computational methods, such as predicted solubility and three-dimensional structure. It supports multiple molecular formats and is periodically updated, automatically whenever possible. The current version of the database contains approximately 4.1 million commercially available compounds and 8.2 million counting isomers. The database includes a user-friendly graphical interface, chemical reactions capabilities, as well as unique search capabilities.

Additional information:
ChemDB: a public database of small molecules and related chemoinformatics resources
Jonathan Chen, S. Joshua Swamidass, Yimeng Dou, Jocelyne Bruand, and Pierre Baldi
Bioinformatics 2005 21(22):4133-4139

(Thank you to Gary Wiggins on the Chemical Information Sources Discussion List - CHMINF-L for pointing out this resource.)

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