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US-EPA CompTox Chemicals Dashboard – An Information Hub for Over Five Thousand Per- & Polyfluoroalkyl Chemical Substances
Citation:
Williams, A., C. Grulke, G. Patlewicz, AND A. Richard. US-EPA CompTox Chemicals Dashboard – An Information Hub for Over Five Thousand Per- & Polyfluoroalkyl Chemical Substances. Presented at American Chemical Society Spring Meeting, Orlando, FL, March 31 - April 04, 2019. https://doi.org/10.23645/epacomptox.8023634
Impact/Purpose:
This presentation will provide an overview of the EPA CompTox Chemicals Dashboard, the ongoing expansion of the PFAS chemical library, with associated categorization, and new physicochemical property and environmental fate and transport QSAR prediction models developed for these chemicals. Abstract for presentation at the Spring 2019 American Chemical Society meeting.
Description:
The EPA’s CompTox Chemicals Dashboard (https://comptox.epa.gov/dashboard) is a publicly accessible website providing access to data for ~770,000 chemical substances, the majority of these represented as chemical structures. The web application delivers a wide array of computed and measured physicochemical properties, in vitro high-throughput screening data and in vivo toxicity data, product use information extracted from safety data sheets, and integrated chemical linkages to a growing list of literature, toxicology, and analytical chemistry websites. The application provides access to segregated lists of chemicals that are of specific interest to relevant stakeholders, including Per- & Polyfluoroalkyl Substances (PFAS) containing thousands of chemicals. A procured testing library of hundreds of PFAS chemicals annotated into chemical categories has been integrated into the dashboard with a number of resulting benefits: a searchable database of chemical properties, with hazard and exposure predictions, and links to the open literature. Several specific search types have been developed to directly support the mass spectrometry non-targeted screening community, enabling cohesive workflows to support data generation for the detection and assessment of environmental exposures to chemicals contained within DSSTox. This presentation will provide an overview of the dashboard, the ongoing expansion of the PFAS chemical library, with associated categorization, and new physicochemical property and environmental fate and transport QSAR prediction models developed for these chemicals. The application of the dashboard to support mass spectrometry non-targeted analysis studies for the identification of PFAS chemicals will also be reviewed. This abstract does not necessarily represent the views or policies of the U.S. Environmental Protection Agency.
URLs/Downloads:
DOI: US-EPA CompTox Chemicals Dashboard – An Information Hub for Over Five Thousand Per- & Polyfluoroalkyl Chemical Substances
WILLIAMS_US-EPA DASHBOARD_AN INFORMATION HUB FOR OVER FIVE THOUSAND PFAS_0309_2019.PDF (PDF, NA pp, 3749.484 KB, about PDF)