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Computational Toxicology Research Program


Several DSSTox Structure Data Files are in various stages of completion for future publication on this website. These are listed alphabetically below to provide a preview of databases-to-come, as well as to encourage continued interest in this effort. The estimated schedule for completion of any particular database is very approximate and thus is not listed here. Users interested in a data file listed below should check this page periodically for updates. For present and future DSSTox projects involving coordination within EPA and with outside efforts working towards the shared aims of toxicity data standardization, open data access, and/or structure-searchability, see EPA Collaborations & Activities and Coordinating Public Efforts.

Note: Prior to separate publication, the chemical content (DSSTox Standard Chemical Fields) of all DSSTox data files under construction will be included in the DSSTox Master Structure-Index File. This limited Structure-Index file content may be published separately as part of this Master File but will not be separately indexed (see Description of Master File) until published as a DSSTox Structure Data File on this website.

CEBSSI: NIEHS Chemical Effects in Biological Systems Structure-Index File (J. Fostel – Source)
Structure-index File of approx 120 chemical substances for which toxicogenomics data will be available in relational searchable form within the CEBS Knowledge Base exit EPA.

ECODEM: DEMETRA Pesticide Eco-Toxicity Database (E. Benfenati, B. Montegue – Sources)
A subset of the Office of Pesticide Programs Database created for the DEMETRA (D evelopment of Environmental Modules for Evaluation of Toxicity of pesticide Residues in Agriculture ) project and containing ecotox data for approximately 400 chemicals in multiple wildlife species, with data reviewed and summarized for QSAR modeling applications.

EPADWC: EPA Regulated Drinking Water Contaminant List Structure-Index File (D. Wolf – Source)
Structure-index File for EPA Regulated Drinking Water Contaminant List list of 71 regulated drinking water contaminents for which National Primary Drinking Water Regulations (NPDWRs or primary standards) apply.

EPAPAI: EPA Pesticide Active Ingredients Structure-Index File (C. Russom – Source)
Structure-index File for EPA Pesticidal Active Ingredient list of approx 870 registered and formerly registered or reviewed pesticide active ingredients (e.g., includes expired, new, under review, etc).

EPAPOI: EPA Pesticide Other Ingredients Structure-Index File
Structure-index File for EPA Pesticidal Other Ingredient list of approx 440 "inert (other)" ingredients in registered and formerly registered or reviewed pesticidal formulations.

IMMTOX: Immunotoxicology Database (M. Luster, D. Germolec – Sources)
Initial version based primarily on a 1992 publication (Luster et al., Fund. Appl. Toxicol. 18:200-210), includes battery of immunotoxicology test summary results for approx 70 chemicals from National Toxicology Program (NTP) immunology study data in B6C3F1 mice, and supplemented by mouse study information for additional chemicals extracted from on-line NTP Immunology Study Reports (http://ntp.niehs.nih.gov/ exit EPA).

NCTRAR: FDA's National Center for Toxicological Research Androgen Receptor Database (W. Tong, H. Fang – Sources)
209 chemicals tested in a common in vitro assay that measures relative binding affinity to the androgen receptor, published in CRT, 2003, 16:1338-1358 (analogous information content to NCTRER).

NTPGTZ: National Toxicology Program Gene-Tox Database (E. Zeiger - Source)
Over 1900 chemical substances tested in a battery of genetic toxicity mutagenicity tests by the NTP, including categorical (positive/negative) summary calls by Errol Zeiger, former head of the NTP GeneTox testing program, for each of 5 strains of Salmonella, with and without rat and hamster metabolic activation.

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