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Public Exposure Information on the CompTox Dashboard (ISES Continuing Ed Course Part 1)
Citation:
Wambaugh, J., K. Isaacs, K. Phillips, AND A. Williams. Public Exposure Information on the CompTox Dashboard (ISES Continuing Ed Course Part 1). International Society of Exposure Science Annual Meeting, Ottawa, Ontario, CANADA, August 26 - 30, 2018.
Impact/Purpose:
This is the first part of a International Society of Exposure Science Pre-Conference Course: Application of New Approach Methodologies for Exposure Assessment and Prioritization – Tools for Researchers and Regulators Including use of Quantitative Structure Use Relationships
Description:
This workshop will cover new approach methodologies for exposure assessment as available from the EPA’s CompTox Chemistry Dashboard (http://comptox.epa.gov). The objective of the course is to provide the attendees with specific examples of how Dashboard tools can be used to obtain innovative and up-to-date exposure information for chemicals in support of exposure assessment or non-targeted analyses. We will briefly introduce high-throughput exposure modeling, including consensus exposure modeling results from the Systematic Empirical Evaluation of Models (SEEM) analysis of exposure tools such as SHEDS-HT and other near-field models developed under the ExpoDat initiative. We will then present a brief overview of non-targeted analysis (NTA) and demonstrate Dashboard tools and workflows for “exposure forensics” of chemical unknowns in NTA. We will discuss the chemical and product use data in CPDat, the US EPA’s Chemical-Product database, as well as the Dashboard mass search, data source rankings, and and retention-time prediction tools. Finally, we will describe machine-learning based Quantitative Structure Use Relationships (QSUR) models for chemical function, which were developed to fill gaps in existing databases. We will present an NTA case study demonstrating how these QSUR models can inform NTA.