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Updated: Sep 7, 2025

Applying Cheminformatics to Develop a Structure Searchable Database of Analytical Methods
Published on: June 6, 2025
A harmonized chemical monitoring database for support of exposure assessments
Kristin K Isaacs1, Jonathan T Wall2, Ashley R Williams3
1U.S. Environmental Protection Agency, Center for Computational Toxicology and Exposure, 109 T.W. Alexander Drive, Research Triangle Park, NC, 27709, USA. Isaacs.kristin@epa.gov.
Abstract:
Direct monitoring of chemical concentrations in different environmental and biological media is critical to understanding the mechanisms by which human and ecological receptors are exposed to exogenous chemicals. Monitoring data provides evidence of chemical occurrence in different media and can be used to inform exposure assessments. Monitoring data provide required information for parameterization and evaluation of predictive models based on chemical uses, fate and transport, and release or emission processes. Finally, these data are useful in supporting regulatory chemical assessment and decision-making. There are a wide variety of public monitoring data available from existing government programs, historical efforts, public data repositories, and peer-reviewed literature databases. However, these data are difficult to access and analyze in a coordinated manner. Here, data from 20 individual public monitoring data sources were extracted, curated for chemical and medium, and harmonized into a sustainable machine-readable data format for support of exposure assessments.
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