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Utilizing the US-EPA CompTox Chemicals Dashboard to deliver public access to a human volatilome subset of data
Citation:
Pleil, J. AND A. Williams. Utilizing the US-EPA CompTox Chemicals Dashboard to deliver public access to a human volatilome subset of data. International Association of Breath Research: Breath Summit 2019, Leicestshire, UK, September 08 - 11, 2019.
Impact/Purpose:
Roll out of DSSTox database to breath research community
Description:
Breath related research has grown beyond targeted analysis of small groups of gas-phase compounds by adding non-targeted (discovery) strategies with increasingly sophisticated instrumentation. Many hundreds (maybe thousands) of new features in breath, exhaled breath condensate (EBC), exhaled breath aerosols (EBA), and other breath-related in vitro samples including tissue and cell cultures are being identified. To help track and organize new compounds, we have recently implemented a “Human Volatilome” list as part of the U.S. Environmental Protection Agency (EPA) CompTox Chemicals Dashboard. Herein, compounds are assembled into the underlying chemical registration system and made available via the publicly accessible dashboard web interface. This provides access to the chemical structures, CAS Registry Numbers, systematic and alternate names, masses and formulae, experimental and predicted physicochemical properties, available toxicity data, details regarding presence in consumer products, and integration with multiple third party sites including Pubmed Central. The subset of data (~800 at present) is openly available at: https://comptox.epa.gov/dashboard/chemical_lists/VOLATILOME and currently contains all of the compounds listed in the JBR article, deLacy Costello, et al. 2014; new compounds will be added in periodic updates. The dashboard provides access to data for ~875,000 chemicals in total and encompasses a much larger data set than that examined in breath research. This presentation demonstrates the utility of the database and solicits input from the breath community.
