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Databases and Models
ACToR
ACToR (Aggregated Computational Toxicology Resource) is a tool being developed within the EPA National Center for Computational Toxicology (NCCT) to manage large scale sets of assay and toxicology data on chemicals of interest to the EPA. These include pesticide active and inert ingredients, High Production Volume (HPV) chemicals, drinking water contaminants and other environmental chemicals. Currently ACToR is only available to EPA users on the Agency intranet (ACToR intranet site).
The ACToR project is compiling both quantitative and qualitative data from a large number of sources and data collections, including EPA databases, PubChem, other NIH and FDA databases, state and other national sources, and from academic groups (see more details). One important data collection is ToxRefDB, which is compiling detailed in vivo study results for pesticides and other environmental chemicals. ACToR is also the primary repository of data being produced by the EPA ToxCast™ chemical prioritization program.
The vast majority of chemicals in ACToR have chemical structures, which will facilitate studies of structure-function relationships in sets of environmental chemicals. The DSSTox Program in the NCCT is responsible for structure annotation in ACToR, as well as the compilation and QC of phenotypic datasets.
Database Of Physiological Parameters For Early Life Rats And Mice
The database of early life rodent physiological parameters is designed to be a useful tool for biologically based modelers by providing access to age-specific parameter values and the scientific literature from which they were extracted. One use will be to help estimate values for physiologically-based pharmacokinetic (PBPK) models for rodents. PBPK models are valuable tools for estimating internal measures of dose for application in research and risk assessment on potential effects of exposures to chemicals.
DSSTox
Distributed Structure-Searchable Toxicity (DSSTox) Database Network is creating a chemical data foundation for improved structure-activity and predictive toxicology capabilities across and outside of EPA. The DSSTox website publishes downloadable, standardized chemical structure files associated with toxicity data in a variety of formats, along with documention and links to source information. In addition, the website hosts a large amount of additional information on the DSSTox project, as well as information on data standards, EPA and outside collaborations, quality review procedures, guidance for users, etc.
ToxRefDB
ToxRefDB (Toxicity Reference Database) is a relational database of
standard toxicity test results for pesticides and other environmental
chemicals, making it possible to link toxicity information with the HTS
and genomic data of ToxCast™ within the ACToR system. ToxRefDB uses a
controlled vocabulary and standardized data field structure, aligned with
other public data model efforts, to capture toxicological endpoints,
critical effects and relevant dose-response data from EPA's Office of
Pesticide Programs (OPP) and other sources. Though not currently
available publicly, ToxRefDB and the data it contains will be available on
EPA websites in the near future. A presentation describing key features
of ToxRefDB is available.