Chemical structure indexing of toxicity data on the internet: moving toward a flat world.
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.
Richard
Ann M
AM
National Center for Computational Toxicology, US Environmental Protection Agency, MD D343-03, Research Triangle Park, NC 27711, USA. richard.ann@epa.gov
Gold
Lois Swirsky
LS
Nicklaus
Marc C
MC
D000043:Abstracting and Indexing / Q000379:methods*; D000818:Animals; D016208:Databases, Factual; D064420:Drug-Related Side Effects and Adverse Reactions; D006801:Humans; D020407:Internet; D015394:Molecular Structure