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STANDARDIZATION AND STRUCTURAL ANNOTATION OF PUBLIC TOXICITY DATABASES: IMPROVING SAR CAPABILITIES AND LINKAGE TO 'OMICS DATA
Citation:
Richard, A. M., C. R. Williams, AND J. M. Burch. STANDARDIZATION AND STRUCTURAL ANNOTATION OF PUBLIC TOXICITY DATABASES: IMPROVING SAR CAPABILITIES AND LINKAGE TO 'OMICS DATA. Presented at American Chemical Society National Meeting: Symposium on Computational Toxicology, New York City, NY, Sept 5-10-2003.
Description:
Standardization and structural annotation of public toxicity databases: Improving SAR capabilities and linkage to 'omics data
Ann M. Richard', ClarLynda Williams', Jamie Burch2
'Nat Health & Environ Res Lab, US EPA, RTP, NC 27711; 2EPA/NC Central Univ Student COOP Trainee
A major impediment to the greater participation of chemists in exploring structureactivity relationships (SAR) in toxicology is the lack of chemical structure annotation to much historical public toxicity information. Chemical structures, and the chemistry underlying toxicity in biological systems, provide a natural common metric for SAR exploration of these diverse data as well as for linking these data more broadly to the data being generated in the emerging 'omics fields. The DSSTox (Distributed StructureSearchable Toxicity) data network is a new public initiative whose objectives are to: 1) promote a standard SDF format and minimal level of chemical structure annotation to public toxicity data; 2) provide a central registry for publishing and making these data files accessible to all; and 3) involve the toxicological experts and sources most familiar with these data in providing minimal description and documentation for these datasets. This abstract does not represent EPA policy.