Mining of Consumer Product Ingredient and Purchasing Data to Identify Potential Chemical Coexposures |
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Authors: | Zachary Stanfield Cody K. Addington Kathie L. Dionisio David Lyons Rogelio Tornero-Velez Katherine A. Phillips Timothy J. Buckley Kristin K. Isaacs |
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Affiliation: | 1.Oak Ridge Associated Universities (ORAU), Oak Ridge, Tennessee, USA; 2.Center for Computational Toxicology and Exposure, Office of Research and Development, U.S. Environmental Protection Agency (U.S. EPA), Research Triangle Park, North Carolina, USA; 3.Oak Ridge Institute for Science and Education (ORISE), Oak Ridge, Tennessee, USA |
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Abstract: | Background: Chemicals in consumer products are a major contributor to human chemical coexposures. Consumers purchase and use a wide variety of products containing potentially thousands of chemicals. There is a need to identify potential real-world chemical coexposures to prioritize in vitro toxicity screening. However, due to the vast number of potential chemical combinations, this identification has been a major challenge.Objectives: We aimed to develop and implement a data-driven procedure for identifying prevalent chemical combinations to which humans are exposed through purchase and use of consumer products.Methods: We applied frequent itemset mining to an integrated data set linking consumer product chemical ingredient data with product purchasing data from 60,000 households to identify chemical combinations resulting from co-use of consumer products.Results: We identified co-occurrence patterns of chemicals over all households as well as those specific to demographic groups based on race/ethnicity, income, education, and family composition. We also identified chemicals with the highest potential for aggregate exposure by identifying chemicals occurring in multiple products used by the same household. Last, a case study of chemicals active in estrogen and androgen receptor in silico models revealed priority chemical combinations co-targeting receptors involved in important biological signaling pathways.Discussion: Integration and comprehensive analysis of household purchasing data and product-chemical information provided a means to assess human near-field exposure and inform selection of chemical combinations for high-throughput screening in in vitro assays. https://doi.org/10.1289/EHP8610 |
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