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DISTRIBUTED STRUCTURE-SEARCHABLE TOXICITY (DSSTOX) DATABASE NETWORK: MAKING PUBLIC TOXICITY DATA RESOURCES MORE ACCESSIBLE AND USABLE FOR DATA EXPLORATION AND SAR DEVELOPMENT
Citation:
Richard, A. M., C. R. Williams, J. L. Beidler, AND D. Ohuoba. DISTRIBUTED STRUCTURE-SEARCHABLE TOXICITY (DSSTOX) DATABASE NETWORK: MAKING PUBLIC TOXICITY DATA RESOURCES MORE ACCESSIBLE AND USABLE FOR DATA EXPLORATION AND SAR DEVELOPMENT. Presented at NCEA/EPA workshop: Augmenting the Risk Assessment Process Using QSAR Applications, Cincinnati, Ohio, Aug 20-22, 2001.
Description:
Distributed Structure-Searchable Toxicity (DSSTox) Database Network: Making Public Toxicity Data Resources More Accessible and U sable for Data Exploration and SAR Development
Many sources of public toxicity data are not currently linked to chemical structure, are not in an easily usable format for incorporation into chemical relational databases, and are not readily available to the public interested in searching through or modeling that data. The DSSTox proposal has the following major elements:
1) to promote an industry standard format (SDFiles, or Structure-Data Files) for storing toxicity data linked to chemical structure information;
2) to create SDFiles for a variety of existing public toxicity databases, including structures and standard chemical identifier fields (e.g. CAS, MW, etc), along with toxicity data fields;
3) to transfer "ownership" of the SDfile to the "Source" of the original database to offer for free public download from the Source or DSSTox website;
4) to create a central DSSTox website to serve as a public resource on the project, with information, links to Sources of SDFiles, central index of field names, etc.
A user would visit the central DSSTox website, follow links to the DSSTox Sources for SDfiles, download these files to their PC, and import them into any chemical relational database (ChemFolder, ChemFinder, Synopsis, Oracle, ISIS). He or she would then have full structure-searchable access to explore data within and across the various databases,
or to extract data to develop SAR models for toxicity prediction. Current progress on this project will be reported.
This abstract does not reflect EPA policy.