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Using US EPA’s Chemical Safety for Sustainability’s Comptox Chemistry Dashboard and Tools for Bioactivity, Chemical and Toxicokinetic Modeling Analyses (Course at 2017 ISES Annual Meeting)
Citation:
Wetmore, B., A. Williams, R. Judson, AND J. Wambaugh. Using US EPA’s Chemical Safety for Sustainability’s Comptox Chemistry Dashboard and Tools for Bioactivity, Chemical and Toxicokinetic Modeling Analyses (Course at 2017 ISES Annual Meeting). 2017 ISES Annual Meeting, Durham, NC, October 15 - 19, 2017.
Impact/Purpose:
This course will be given to an international audience comprised of exposure scientists and toxicologists to provide an update on the state of science being conducted within the EPA’s Office of Research and Development’s Chemical Safety for Sustainability program. It will highlight progress in the development of databases and computational tools that are publically available and designed to assist in the evaluation of 1) chemistries that are present in commercial products and to which the US population may be exposed; 2) high-throughput bioactivity screening data generated to assess chemical modes of action, bioactivities and potencies; 3) in vitro-in vivo extrapolation (IVIVE) and pharmacokinetic modeling tools to aid in understanding how to translate in vitro bioactivities to an external exposure required to achieve these in vitro concentrations; and 4) a high-throughput toxicokinetic (HTTK) package that is now available to assist with IVIVE efforts, including several toxicokinetic models of varying complexity and a database of curated in vitro toxicokinetic data. This course will provide greater visibility to ORD research and facilitate interactions with stakeholders to address knowledge, understanding and acceptance of the available tools and datasets.
Description:
Title: Using US EPA’s Chemical Safety for Sustainability’s Comptox Chemistry Dashboard and Tools for Bioactivity, Chemical and Toxicokinetic Modeling Analyses • Class format: half-day (4 hours) • Course leader(s): Barbara A. Wetmore and Antony J. Williams, US EPA • Instructors: Barbara A. Wetmore, Antony J. Williams, Richard S. Judson and John F. Wambaugh Course Abstract: Ongoing research within the US EPA’s Chemical Safety for Sustainability program strives to integrate advances in in vitro experimentation, biotechnology, and in silico tools and modeling to evaluate chemicals for potential human health issues. Efforts have included compilation of information across multiple data streams for thousands of chemicals to capture physical-chemical properties, high-throughput bioactivity data, pharmacokinetic properties, consumer use, product and exposure information along with predictive computational tools developed to predict potential hazard and exposure. These data and tools are publicly available through the EPA’s web-based CompTox Chemistry Dashboard, which also provides links to many other EPA databases, tools and public websites. This course will introduce students to these resources and provide guidance on how they can be mined to aid in chemical and biological data mining, pharmacokinetic modeling, and in vitro-in vivo extrapolation efforts to link assessments of in vitro exposure and toxicity to in vivo exposures. • Modules include: o Session 1: Introduction to the US EPA’s CompTox Chemistry Dashboard for Chemical and Biological Data Mining (AJW) o Session 2: Applications of National Center for Computational Toxicology (NCCT) Dashboards and Computational Toxicology Approaches (RSJ) o Break o Session 3: Introduction to In Vitro-In Vivo Extrapolation and Pharmacokinetic Modeling (BAW) o Session 4: Capabilities and Evaluation of the US EPA’s HTTK (high throughput toxicokinetics) R package (JFW)
