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Cheminformatics tools supporting dissemination of data associated with US EPA Clean Water Act hazardous substances
Citation:
Williams, A., F. Kremer, J. Cuje', AND V. Tkachenko. Cheminformatics tools supporting dissemination of data associated with US EPA Clean Water Act hazardous substances. ACS, New Orleans, LA, March 17 - 21, 2024. https://doi.org/10.23645/epacomptox.26058304
Impact/Purpose:
N/A
Description:
During the past decade cheminformatics tools at the USEPA have resulted in a data and chemistry software infrastructure based on the underlying DSSTox database and a series of publicly available web-based applications. The primary application delivering these data to the community is the CompTox Chemicals Dashboard, ( https://comptox.epa.gov/dashboard/) which provides access to integrated data sources for chemicals, hazard data, bioactivity screening data and experimental and predicted property predictions. An additional number of proof-of-concept applications have been developed which test novel ways to integrate and deliver data to address novel use cases for specific contexts. One example of a specific use case is the delivery of integrated hazard and safety data for chemical substances included in the Clean Water Act (CWA) regulation being released in 2024 for facilities storing CWA hazardous substances which includes approximately 300 substances. Many of the hazardous substances are stored in aboveground storage tanks and are potentially under threat as climate change can present a threat due to flooding potential on coastal and inland waterways, as a result of a rise in sea level and potential risk of subsidence. This presentation will give an overview of the data and capabilities associated with the hazard and safety cheminformatics modules which will be integrated into a tool to assist emergency planners and responders, water utilities and hazardous substance facility owner/operators better prepare and respond to potential discharges. This abstract does not necessarily represent the views or policies of the U.S. Environmental Protection Agency.
URLs/Downloads:
DOI: Cheminformatics tools supporting dissemination of data associated with US EPA Clean Water Act hazardous substances
PRESENTATION.PDF (PDF, NA pp, 5814.167 KB, about PDF)