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. This dataset is associated with the following publication: Stanfield, Z., C. Addington, K. Dionisio, D. Lyons, R. Tornero-Velez, K. Phillips, T. Buckley, and K. Isaacs. Mining of consumer product and purchasing data to identify potential chemical co-exposures.. ENVIRONMENTAL HEALTH PERSPECTIVES. National Institute of Environmental Health Sciences (NIEHS), Research Triangle Park, NC, USA, 129(6): N/A, (2021).

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. This dataset is associated with the following publication: Stanfield, Z., C. Addington, K. Dionisio, D. Lyons, R. Tornero-Velez, K. Phillips, T. Buckley, and K. Isaacs. Mining of consumer product and purchasing data to identify potential chemical co-exposures.. ENVIRONMENTAL HEALTH PERSPECTIVES. National Institute of Environmental Health Sciences (NIEHS), Research Triangle Park, NC, USA, 129(6): N/A, (2021).

This USGS data release contains station and laboratory method information and geospatial information, as well as concentration results for inorganic and organic compounds and bioluminescent yeast estrogen screen and transgenic zebrafish embryo estrogren bioassay, analyzed at 38 sites in 25 states as part of the Chemical Mixtures and Environmental Effects Pilot Study, 2012-2014.

This USGS data release contains station and laboratory method information and geospatial information, as well as concentration results for inorganic and organic compounds and bioluminescent yeast estrogen screen and transgenic zebrafish embryo estrogren bioassay, analyzed at 38 sites in 25 states as part of the Chemical Mixtures and Environmental Effects Pilot Study, 2012-2014.

Data from study assessing the utility of knowledgebase-leveraging of comprehensive environmental-contaminant-exposure datasets by comparing biological effects predicted on the basis of target chemical analyses with measured biological effects in corresponding split water samples.

The contents of the chemistry database, presently containing ~ 760,000 substances, are available as public domain data for download. The chemistry content underpinning the Dashboard has been aggregated over the past 15 years by both manual and auto-curation techniques within EPA’s DSSTox project.These data include physicochemical, environmental fate and transport, exposure, usage, in vivo toxicity, and in vitro bioassay data, surfaced through an integration hub with link-outs to additional EPA data and public domain online resources. This dataset is associated with the following publication: Williams, A., C. Grulke, J. Edwards, A. McEachran, K. Mansouri, N. Baker, G. Patlewicz, I. Shah, J. Wambaugh, R. Judson, and A. Richard. (Journal of Cheminformatics) The CompTox Chemistry Dashboard - A Community Data Resource for Environmental Chemistry. Journal of Cheminformatics. Springer, New York, NY, USA, 9(61): 1-27, (2017).

The contents of the chemistry database, presently containing ~ 760,000 substances, are available as public domain data for download. The chemistry content underpinning the Dashboard has been aggregated over the past 15 years by both manual and auto-curation techniques within EPA’s DSSTox project.These data include physicochemical, environmental fate and transport, exposure, usage, in vivo toxicity, and in vitro bioassay data, surfaced through an integration hub with link-outs to additional EPA data and public domain online resources. This dataset is associated with the following publication: Williams, A., C. Grulke, J. Edwards, A. McEachran, K. Mansouri, N. Baker, G. Patlewicz, I. Shah, J. Wambaugh, R. Judson, and A. Richard. (Journal of Cheminformatics) The CompTox Chemistry Dashboard - A Community Data Resource for Environmental Chemistry. Journal of Cheminformatics. Springer, New York, NY, USA, 9(61): 1-27, (2017).

Tables, Figures, and Supplemental Materials for doi: 10.1158/1541-7786.MCR-16-0084. This dataset is associated with the following publication: Suen, A., W. Jefferson, C. Wood, E. Padilla-Banks, V. Bae-Jump, and C. Williams. SIX1 Oncoprotein as a Biomarker in a Model of Hormonal Carcinogenesis and in Human Endometrial Cancer.. Molecular Cancer Research. American Association for Cancer Research, Inc., Philadelphia, PA, USA, 14(9): 849-858, (2016).

Tables, Figures, and Supplemental Materials for doi: 10.1158/1541-7786.MCR-16-0084. This dataset is associated with the following publication: Suen, A., W. Jefferson, C. Wood, E. Padilla-Banks, V. Bae-Jump, and C. Williams. SIX1 Oncoprotein as a Biomarker in a Model of Hormonal Carcinogenesis and in Human Endometrial Cancer.. Molecular Cancer Research. American Association for Cancer Research, Inc., Philadelphia, PA, USA, 14(9): 849-858, (2016).

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