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Chemical structure indexing of toxicity data on the Internet: Moving toward a flat world

  1. Author:
    Richard, A. M.
    Gold, L. S.
    Nicklaus, M. C.

  2. Author Address

    US EPA, Natl Ctr Computat Toxicol, Res Triangle Pk, NC 27711 USA. Univ Calif Berkeley, Lawrence Berkeley Lab, Dept Mol & Cell Biol, Div Life Sci, Berkeley, CA 94720 USA. NCI, Ctr Canc Res, NIH, DHHS,Lab Med Chem, Frederick, MD 21702 USA.;Richard, AM, US EPA, Natl Ctr Computat Toxicol, MD D343-03, Res Triangle Pk, NC 27711 USA.;richard.ann@epa.gov
    1. Year: 2006
    2. Date: May
  2. Journal: Current Opinion in Drug Discovery & Development
    1. 9
    2. 3
    3. Pages: 314-325
  4. Type of Article: Review
  5. ISSN: 1367-6733
  1. Abstract:

    Standardized chemical structure annotation of public toxicity databases and information resources is playing an increasingly important role in the 'flattening' and integration of diverse sets of biological activity data on the Internet. This review discusses public initiatives that are accelerating the pace of this transformation, with particular reference to toxicology-related chemical information. Chemical content annotators, structure locator services, large structure/data aggregator web sites, structure browsers, International Union of Pure and Applied Chemistry (IUPAC) International Chemical Identifier (InChI) codes, toxicity data models and public chemical/biological activity profiling initiatives are all playing a role in overcoming barriers to the integration of toxicity data, and are bringing researchers closer to the reality of a mineable chemical Semantic Web. An example of this integration of data is provided by the collaboration among researchers involved with the Distributed Structure-Searchable Toxicity (DSSTox) project, the Carcinogenic Potency Project, projects at the National Cancer Institute and the PubChem database.

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  1. View record in Web of Science®
  2. WOS: 000237218400003

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