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Mining Potential Chemical Co-exposures from Consumer Product Purchasing and Ingredient Data (CompTox CofP)
Citation:
Stanfield, Z. AND K. Isaacs. Mining Potential Chemical Co-exposures from Consumer Product Purchasing and Ingredient Data (CompTox CofP). EPA’s Computational Toxicology Community of Practice Webinar, RTP, NC, August 26, 2021. https://doi.org/10.23645/epacomptox.16587305
Impact/Purpose:
Presentation to the EPA’s Computational Toxicology Community of Practice August 2021 which describes the results of a recent project to characterize real-life co-exposures using data mining of consumer product ingredient and purchasing data.
Description:
Background: Chemicals in consumer products are a major contributor to human chemical co-exposures. Consumers purchase and use a wide variety of products containing potentially thousands of chemicals. There is a need to identify potential real-world chemical co-exposures in order to prioritize in vitro toxicity screening. However, due to the vast number of potential chemical combinations, this has been a major challenge. Objectives: We aim 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 on an integrated dataset linking consumer product chemical ingredient data with product purchasing data from sixty thousand 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. Lastly, 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.
URLs/Downloads:
DOI: Mining Potential Chemical Co-exposures from Consumer Product Purchasing and Ingredient Data (CompTox CofP)
ZS_CCTE_COP_2021-08-26.PDF (PDF, NA pp, 3422.362 KB, about PDF)