Science Inventory

Accessing information for chemicals in hydraulic fracturing fluids using the US EPA CompTox Chemistry Dashboard

Citation:

Williams, A., A. McEachran, J. Sobus, Chris Grulke, AND A. Richard. Accessing information for chemicals in hydraulic fracturing fluids using the US EPA CompTox Chemistry Dashboard. To be Presented at American Chemical Society Spring Meeting, New Orleans, LA, March 18 - 22, 2018. https://doi.org/10.23645/epacomptox.7072757

Impact/Purpose:

Abstract for presentation at the ACS Spring annual meeting. This presentation will provide an overview of the challenges associated with the curation of chemicals related data from EPA’s 2016 Hydrofracking Report, for integration into the dashboard and the benefits resulting from the effort: a searchable database of chemical properties, with hazard and exposure predictions, and open literature.

Description:

EPA’s National Center for Computational Toxicology is developing automated workflows for curating large databases and providing accurate linkages of data to chemical structures, exposure and hazard information. The data are being made available via the EPA’s CompTox Chemistry Dashboard (https://comptox.epa.gov/dashboard), a publicly accessible website providing access to data for almost 760,000 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 as well as integrated chemical linkages to a growing list of literature, toxicology, and analytical chemistry websites. In addition, several specific search types are in development to directly support the mass spectroscopy non-targeted screening community, who are generating important data for detecting and assessing environmental exposures to chemicals contained within DSSTox. The application provides access to segregated lists of chemicals that are of specific interests to relevant stakeholders including, for example, scientists interested in Algal Toxins and Hydrofracking Chemicals. This presentation will provide an overview of the challenges associated with the curation of chemicals related data from EPA’s 2016 Hydrofracking Report, for integration into the dashboard and the benefits resulting from the effort: a searchable database of chemical properties, with hazard and exposure predictions, and open literature. The application of the dashboard to support mass spectrometry non-targeted analysis studies will also be reviewed. This abstract does not reflect U.S. EPA policy.

URLs/Downloads:

https://doi.org/10.23645/epacomptox.7072757   Exit

Record Details:

Record Type: DOCUMENT (PRESENTATION/SLIDE)
Product Published Date: 03/22/2018
Record Last Revised: 09/26/2018
OMB Category: Other
Record ID: 342230

Organization:

U.S. ENVIRONMENTAL PROTECTION AGENCY

OFFICE OF RESEARCH AND DEVELOPMENT

NATIONAL CENTER FOR COMPUTATIONAL TOXICOLOGY