Science Inventory

DSSTOX STRUCTURE-SEARCHABLE PUBLIC TOXICITY DATABASE NETWORK: CURRENT PROGRESS AND NEW INITIATIVES TO IMPROVE CHEMO-BIOINFORMATICS CAPABILITIES

Citation:

Richard, A M. AND B. A. Rogers. DSSTOX STRUCTURE-SEARCHABLE PUBLIC TOXICITY DATABASE NETWORK: CURRENT PROGRESS AND NEW INITIATIVES TO IMPROVE CHEMO-BIOINFORMATICS CAPABILITIES. Presented at Society of Toxicity, New Orleans, LA, March 6-10, 2005.

Description:

The EPA DSSTox website (http://www/epa.gov/nheerl/dsstox) publishes standardized, structure-annotated toxicity databases, covering a broad range of toxicity disciplines. Each DSSTox database features documentation written in collaboration with the source authors and toxicity experts, standardized chemical structure annotation, inclusion of data fields designed to enhance the utility of these files for structure-activity exploration and discovery, and full and open public access. In addition, the DSSTox website offers a range of information resources and tools to encourage public participation in the project and to facilitate use of these structure-searchable databases in relational database applications and structure-activity relationship (SAR) model development. Long-term goals of the DSSTox project are to: expand database offerings into a wider range of toxicology study areas; coordinate development and adoption of standardized toxicity data fields that will expand structure-activity exploration capabilities across wide-ranging areas of toxicology; adoption of unique, content-rich XML chemical structure ICHI identifiers; and encourage and facilitate expanded chemo-bioinformatics capabilities in toxicogenomics. In collaboration with the NIEHS/National Center for Toxicogenomics, and the Chemical Effects in Biological System Knowledge Base (CEBS), DSSTox standard chemical fields are being incorporated into the annotation of toxicogenomics datasets resulting from chemical exposure. This will create linkages from CEBS to DSSTox historical toxicity databases, and enable sophisticated searches across multiple domains of information (chemical structure analogs, toxicity endpoint, gene, pathway, etc.). Chemical structure, and the chemistry underlying toxicity in biological systems, provide a natural common metric for exploration across diverse types of biological data and will be an essential information component to the next generation of predictive toxicology and chemo-bioinformatics capabilities. This abstract does not represent EPA policy.

Record Details:

Record Type:DOCUMENT( PRESENTATION/ ABSTRACT)
Product Published Date:03/08/2005
Record Last Revised:02/26/2007
Record ID: 84931