We describe screening level estimates of potential aquatic toxicity posed by 227 chemical analytes that were measured in 25 ambient water samples collected as part of a joint USGS/USEPA drinking water plant study. Measured concentrations were compared to biological effect concentration (EC) estimates, including USEPA aquatic life criteria, effective plasma concentrations of pharmaceuticals, published toxicity data summarized in the USEPA ECOTOX database, and chemical structure-based predictions. Potential dietary exposures were estimated using a generic 3-tiered food web accumulation scenario. This dataset is associated with the following publication: Kostich , M., R. Flick , A. Batt , H. Mash , S. Boone , E. Furlong, D. Kolpin, and S. Glassmeyer. Aquatic concentrations of chemical analytes compared to ecotoxicity estimates. SCIENCE OF THE TOTAL ENVIRONMENT. Elsevier BV, AMSTERDAM, NETHERLANDS, 579: 1649-1657, (2017).

In vitro biological activity data from a extracts of a nationwide survey of US streams. This dataset is associated with the following publication: Blackwell, B., G. Ankley, P. Bradley, K. Houck, S.S. Makarov, A. Medvedev, J. Swintek, and D. Villeneuve. Potential toxicity of complex mixtures in surface waters from a nationwide survey of United States streams: Identifying in vitro bioactivities and causative chemicals. ENVIRONMENTAL SCIENCE & TECHNOLOGY. American Chemical Society, Washington, DC, USA, 53(2): 973-983, (2019).

In vitro biological activity data from a extracts of a nationwide survey of US streams. This dataset is associated with the following publication: Blackwell, B., G. Ankley, P. Bradley, K. Houck, S.S. Makarov, A. Medvedev, J. Swintek, and D. Villeneuve. Potential toxicity of complex mixtures in surface waters from a nationwide survey of United States streams: Identifying in vitro bioactivities and causative chemicals. ENVIRONMENTAL SCIENCE & TECHNOLOGY. American Chemical Society, Washington, DC, USA, 53(2): 973-983, (2019).

The initial analysis set was downloaded from https://www.waterqualitydata.us/ using queries described in the file load_water_data.py, hosted at https://github.com/USEPA/EcoSEEM-Consensus-Model-for-Chemicals-in-Surface-Water/tree/master/observation_data. The representative concentration ranges and bioactivity:exposure ratio results are available at the same GitHub repo in the file all_chem_res.csv. This dataset is associated with the following publication: Sayre, R., R. Setzer, M. Serre, and J. Wambaugh. Characterizing surface water concentrations of hundreds of organic chemicals in United States for environmental risk prioritization. Journal of Exposure Science and Environmental Epidemiology. Nature Publishing Group, London, UK, 33: 610-619, (2023).

The initial analysis set was downloaded from https://www.waterqualitydata.us/ using queries described in the file load_water_data.py, hosted at https://github.com/USEPA/EcoSEEM-Consensus-Model-for-Chemicals-in-Surface-Water/tree/master/observation_data. The representative concentration ranges and bioactivity:exposure ratio results are available at the same GitHub repo in the file all_chem_res.csv. This dataset is associated with the following publication: Sayre, R., R. Setzer, M. Serre, and J. Wambaugh. Characterizing surface water concentrations of hundreds of organic chemicals in United States for environmental risk prioritization. Journal of Exposure Science and Environmental Epidemiology. Nature Publishing Group, London, UK, 33: 610-619, (2023).

Human-use pharmaceutical compounds were analyzed at the U.S. Geological Survey, National Water Quality Laboratory, Denver, Colorado, in wadeable streams in 4 Regional Stream Quality Assessments: Northeast (NESQA), Southeast (SESQA), Pacific Northwest (PNSQA) and California (CSQA). Multiple (with few exceptions) samplings occurred at each site, during base flow, between 2014 and 2017. Sites were located in the headwaters of perennial, wadeable streams in urban and agricultural watersheds. Site selection and methodology for each assessment can be found in Van Meter and others (2015), Sheibley and others (2015), Van Meter and others (2017), Coles and others (2016), Van Meter and others (2016), Journey and others (2015), and Van Meter and others (2014).

Water-borne contaminants were monitored in 69 tributaries of the Laurentian Great Lakes in 2010 and 2014 using semipermeable membrane devices (SPMDs), and polar organic chemical integrative samplers (POCIS). Analyses included 185 chemicals (143 detected) including PAHs, legacy and current-use pesticides, fire retardants, pharmaceuticals, fragrances, and others. Hazard quotients were calculated by dividing detected concentrations by biological effect concentrations reported in the ECOTOX Knowledgebase (Toxicity quotients, TQs) or ToxCast database (Exposure Activity Ratios, EARs). This dataset is associated with the following publication: Alvarez, D., S. Corsi, L. De Cicco, D. Villeneuve, and A. Baldwin. Identifying chemicals and mixtures of potential biological concern detected in passive samplers from Great Lakes tributaries using high-throughput data and biological pathways. ENVIRONMENTAL TOXICOLOGY AND CHEMISTRY. Society of Environmental Toxicology and Chemistry, Pensacola, FL, USA,

Water-borne contaminants were monitored in 69 tributaries of the Laurentian Great Lakes in 2010 and 2014 using semipermeable membrane devices (SPMDs), and polar organic chemical integrative samplers (POCIS). Analyses included 185 chemicals (143 detected) including PAHs, legacy and current-use pesticides, fire retardants, pharmaceuticals, fragrances, and others. Hazard quotients were calculated by dividing detected concentrations by biological effect concentrations reported in the ECOTOX Knowledgebase (Toxicity quotients, TQs) or ToxCast database (Exposure Activity Ratios, EARs). This dataset is associated with the following publication: Alvarez, D., S. Corsi, L. De Cicco, D. Villeneuve, and A. Baldwin. Identifying chemicals and mixtures of potential biological concern detected in passive samplers from Great Lakes tributaries using high-throughput data and biological pathways. ENVIRONMENTAL TOXICOLOGY AND CHEMISTRY. Society of Environmental Toxicology and Chemistry, Pensacola, FL, USA,

Concentrations of 127 organic chemicals measured in water samples collected from five locations in proximity to two municipal wastewater treatment plants in the St. Croix River basin, MN and WI, USA are included. Additionally, gene expression in the livers of fathead minnows exposed in situ to the site water for 12 d is included. Gene expression was analyzed by oligonucleotide microarray and raw data are accessible through the National Center for Biotechnology Information (NCBI) Gene Expression Omnibus (GEO), accession number GSE81263. Additional analyses performed on those data, including construction of knowledge assembly models from comparison of the detected chemicals data with associated genes from the comparative toxicogenomics database, pathway and gene ontology enrichment analyses performed on the gene expression data, and richness and concordance statistics from a Reverse Causal Reasoning-based statistical approach are included. This dataset is associated with the following publication: Schroeder , A., D. Martinović-Weigelt, G. Ankley , K. Lee, N. Garcia-Reyero, E. Perkins, H. Schoenfuss, and D. Villeneuve. Prior knowledge-based approach for associating contaminants with biological effects: A case study in the St. Croix river basin, MN, WI, USA.. ENVIRONMENTAL POLLUTION. Elsevier Science Ltd, New York, NY, USA, 221: 427-436, (2017).

Concentrations of 127 organic chemicals measured in water samples collected from five locations in proximity to two municipal wastewater treatment plants in the St. Croix River basin, MN and WI, USA are included. Additionally, gene expression in the livers of fathead minnows exposed in situ to the site water for 12 d is included. Gene expression was analyzed by oligonucleotide microarray and raw data are accessible through the National Center for Biotechnology Information (NCBI) Gene Expression Omnibus (GEO), accession number GSE81263. Additional analyses performed on those data, including construction of knowledge assembly models from comparison of the detected chemicals data with associated genes from the comparative toxicogenomics database, pathway and gene ontology enrichment analyses performed on the gene expression data, and richness and concordance statistics from a Reverse Causal Reasoning-based statistical approach are included. This dataset is associated with the following publication: Schroeder , A., D. Martinović-Weigelt, G. Ankley , K. Lee, N. Garcia-Reyero, E. Perkins, H. Schoenfuss, and D. Villeneuve. Prior knowledge-based approach for associating contaminants with biological effects: A case study in the St. Croix river basin, MN, WI, USA.. ENVIRONMENTAL POLLUTION. Elsevier Science Ltd, New York, NY, USA, 221: 427-436, (2017).