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MDCPSS/CTSS Webinar - Integrating mass spectrometry non-targeted analysis and computational toxicology to characterize chemicals
As part of its mission the Center for Computational Toxicology and Exposure (CCTE) in the US-EPA’s Office of Research and Development delivers access to chemicals related data via freely accessible online Dashboards. The CompTox Chemicals Dashboard (available at https://comptox.epa.gov/dashboard) provides access to >900,000 chemicals and associated data including experimental and predicted property data, in vivo hazard data, in vitro bioactivity data, exposure data, and various other data types. The application provides a set of flexible searches allowing for search, visualization and downloads of the data to the desktop for further interrogation. The underlying chemical database offers a strong underpinning for structure identification using mass spectrometry. Cheminformatics approaches provide mass and formula-based searching, metadata ranking of tentative candidates and hazard profiling of the resulting chemicals. This presentation will provide an overview of the Dashboard with a focus on how the application could be used for the identification of leachables and extractables. This presentation will also introduce a number of proof-of-concept modules in development including a hazard module which allows profiling of chemicals based on toxicity types. This abstract does not necessarily represent the views or policies of the U.S. Environmental Protection Agency.

Registration is Required.

Duration: 11:00 AM - 12:00 PM ET (1 hour)

Jun 30, 2022 11:00 AM in Eastern Time (US and Canada)

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