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  1. ChemDB (View Publication)
    Full Name of the Resource : 3D structures and properties of small molecules
    Resource Category : Databases -> Structure Databases -> Small Molecules

    Brief Description : ChemDB (http://cdb.ics.uci.edu/) is a public database of small molecules available over the Web. These small molecules play a fundamental role in organic chemistry and biology. They can be used as combinatorial building blocks for chemical synthesis, as molecular probes in chemical genomics and systems biology, and for the screening and discovery of new drugs and other useful compounds. 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 3D structure. It supports multiple molecular formats and is periodically updated, automatically whenever possible. The current version of the database contains over 4M commercially available compounds. The database includes a user-friendly graphical interface, chemical reactions capabilities, as well as unique search capabilities
    Subject Area : Organic Chemistry


    Institute/s :
    Institute for Genomics and Bioinformatics, School of Information and Computer Sciences, University of California, Irvine
    Address of Institute/s :
    Institute for Genomics and Bioinformatics, School of Information and Computer Sciences, University of California, Irvine
    Country : United States

    Associated Institutes :

    • Institute for Genomics and Bioinformatics, School of Information and Computer Sciences, University of California Irvine, CA, USA
    • Department of Computer Science, School of Information and Computer Sciences, University of California Irvine, CA, USA

    Associated Country : USA


    Authors/Contributors : Baldi P.
    Contact Email : pfbaldi@uci.edu
    Year : 2005
    Language : English

    Keywords : Artificial Intelligence; Database Management Systems; Databases, Factual; Information Storage and Retrieval / methods; Natural Language Processing; Organic Chemicals / chemistry / classification; User-Computer Interface