Science Inventory

20190825 - Delivering Web-based Access to data and Algorithms to Support Computational Toxicology: US EPA CompTox Chemicals Dashboard (ACS Fall 2019)

Citation:

Williams, A., C. Grulke, A. Richard, R. Judson, G. Patlewicz, I. Shah, J. Wambaugh, K. Friedman, J. Dunne, AND J. Edwards. 20190825 - Delivering Web-based Access to data and Algorithms to Support Computational Toxicology: US EPA CompTox Chemicals Dashboard (ACS Fall 2019). American Chemical Society Fall Meeting, San Diego, CA, August 25 - 29, 2019. https://doi.org/10.23645/epacomptox.9773705

Impact/Purpose:

Presentation to the American Chemical Society 2019 fall meeting. This presentation will provide an overview of the CompTox Chemicals Dashboard and the its role in delivering access to the outputs of the EPA National Center for Computational Toxicology.

Description:

The US-EPA National Center for Computational Toxicity (NCCT) has been generating data and building software applications and web-based chemistry databases for over a decade. During this period the center has analyzed thousands of chemicals in hundreds of bioassays, has researched high-throughput physicochemical property measurements and investigated approaches for high throughput toxicokinetics. NCCT continues to expand the battery of assays and number of chemicals under examination and is now investigating the application of transcriptomics. In parallel to these experimental efforts, and to support our efforts to develop new approaches to prioritize chemicals based on potential human health risks, we aggregate and curate data streams of various types to support prediction models. Over the past few years some of the data have been delivered through prototype web-based “dashboards” for public consumption. The latest of these web applications, the CompTox Chemicals Dashboard, is an integrated access point to obtain information associated with 875,000 chemical substances and providing experimental and predicted data of various types. This includes physicochemical and fate and transport data, bioactivity data, exposure data and integrated literature searches. Real-time predictions and generalized read-across are possible and advanced search capabilities are available to support EPA-related projects including mass spectrometry non-targeted analysis. This presentation will provide an overview of the CompTox Chemicals Dashboard and the its role in delivering access to the outputs of NCCT. This abstract does not necessarily represent the views or policies of the U.S. Environmental Protection Agency.

Record Details:

Record Type: DOCUMENT ( PRESENTATION/ SLIDE)
Product Published Date: 08/29/2019
Record Last Revised: 09/05/2019
OMB Category: Other
Record ID: 346355