In September, 2015, a water sample was collected downstream of a major metropolitan waste water treatment plant that discharges to the South Platte River, Colorado, USA. The grab sample, 1L, was collected just below the water surface, directly into a pre-cleaned, organic-free, amber glass bottle. The water sample was extracted by solid phase extraction using an Oasis-HLB glass catridge. Cartidges were conditioned sequentially using 5mL each of ethyl acetate, 50:50 methanol (MeOH):dichloromethane (DCM), MeOH, and water. The extract in DMSO was tested in the Attagene cis- and trans-FactorialTM assays (http://www.attagene.com/technology.php; Martin and others 2010; Romanov and others 2008). Data were analyzed using an established analysis pipeline for analyzing ToxCast™ high throughput screening data (Filer and others 2017). "Active hits" in the Attagene assay are included in the data table. This dataset is associated with the following publication: Knapen, D., M. Angrish, M. Fortin, I. Katsiadaki, M. Leonard, L. Mariotta-Casaluci, S. Munn, J. O'Brien, N. Pollesch, L.C. Smith, X. Zhang, and D. Villeneuve. Adverse outcome pathway networks I: Development and applications. ENVIRONMENTAL TOXICOLOGY AND CHEMISTRY. Society of Environmental Toxicology and Chemistry, Pensacola, FL, USA, 37(6): 1723-1733, (2018).

The datafile contains data associated with analytical chemistry, fish gene expression, in vitro bioassays, chemical prioritization, and Attagene data for surface water monitoring and caged fish studies on the South Platte River (Colorado, USA) in 2018 and 2019. This dataset is associated with the following publication: Cavallin, J., J. Beihoffer, B. Blackwell, A. Cole, D. Ekman, R. Hofer, A. Jastrow, J. Kinsey, K. Keteles, E. Maloney, J. Parman, D. Winkelman, and D. Villeneuve. Effects-based monitoring of bioactive compounds associated with municipal wastewater treatment plant effluent discharge to the South Platte River, Colorado, USA. ENVIRONMENTAL POLLUTION. Elsevier Science Ltd, New York, NY, USA, 289: 117928, (2021).

The datafile contains data associated with analytical chemistry, fish gene expression, in vitro bioassays, chemical prioritization, and Attagene data for surface water monitoring and caged fish studies on the South Platte River (Colorado, USA) in 2018 and 2019. This dataset is associated with the following publication: Cavallin, J., J. Beihoffer, B. Blackwell, A. Cole, D. Ekman, R. Hofer, A. Jastrow, J. Kinsey, K. Keteles, E. Maloney, J. Parman, D. Winkelman, and D. Villeneuve. Effects-based monitoring of bioactive compounds associated with municipal wastewater treatment plant effluent discharge to the South Platte River, Colorado, USA. ENVIRONMENTAL POLLUTION. Elsevier Science Ltd, New York, NY, USA, 289: 117928, (2021).

The present study highlights the utility of bioeffects-based monitoring in conjunction with analytical chemical measurements of surface waters on the Colorado River associated with a historically bioactive wastewater treatment plant effluent. Concurrent with chemical monitoring and in vitro bioactivity measurements, in situ caged fish systems were employed to evaluate the potential bioavailability of predicted biologically-active contaminants associated with ER, GR, and PPAR-associated activities. The present study compares the effects of a wastewater treatment plant facility upgrade on bioactive contaminant loading. This dataset is associated with the following publication: Cavallin, J., W. Battaglin, J. Beihoffer, B. Blackwell, P. Bradley, A. Cole, D. Ekman, R. Hofer, J. Kinsey, K. Keteles, D. Winkelman, and D. Villeneuve. Effects-Based Monitoring of Bioactive Chemicals Discharged to the Colorado River Before and After a Municipal Wastewater Treatment Plant Replacement. ENVIRONMENTAL SCIENCE & TECHNOLOGY. American Chemical Society, Washington, DC, USA, 55(2): 974-984, (2021).

The present study highlights the utility of bioeffects-based monitoring in conjunction with analytical chemical measurements of surface waters on the Colorado River associated with a historically bioactive wastewater treatment plant effluent. Concurrent with chemical monitoring and in vitro bioactivity measurements, in situ caged fish systems were employed to evaluate the potential bioavailability of predicted biologically-active contaminants associated with ER, GR, and PPAR-associated activities. The present study compares the effects of a wastewater treatment plant facility upgrade on bioactive contaminant loading. This dataset is associated with the following publication: Cavallin, J., W. Battaglin, J. Beihoffer, B. Blackwell, P. Bradley, A. Cole, D. Ekman, R. Hofer, J. Kinsey, K. Keteles, D. Winkelman, and D. Villeneuve. Effects-Based Monitoring of Bioactive Chemicals Discharged to the Colorado River Before and After a Municipal Wastewater Treatment Plant Replacement. ENVIRONMENTAL SCIENCE & TECHNOLOGY. American Chemical Society, Washington, DC, USA, 55(2): 974-984, (2021).

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).

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,

A collection of R scripts useful for extracting and analyzing adverse outcome pathway network data from the adverse outcome pathway wiki (aopwiki.org). This dataset is associated with the following publication: Pollesch, N., D. Villeneuve, and J. O'Brien. Extracting and benchmarking emerging adverse outcome pathway knowledge. TOXICOLOGICAL SCIENCES. Society of Toxicology, RESTON, VA, 168(2): 349-364, (2019).

Detection Limit Study. This dataset is associated with the following publication: Reddy, T., R. Flick , J. Lazorchak , M. Smith, B. Wiechman, and D. Lattier. Experimental paradigm for in-lab proxy aquatic studies under conditions of static, non flow through chemical exposures. ENVIRONMENTAL TOXICOLOGY AND CHEMISTRY. Society of Environmental Toxicology and Chemistry, Pensacola, FL, USA, 34(12): 2796-2802, (2015).

The data set provides a set of txt files and cytoscape files that were used to construct the example AOP networks included in the paper. Additionally, a supplementary table file provides all the network statistics discussed in the manuscript (e.g., node degree calculations, betweenness centrality, eccentricity, etc.). This dataset is associated with the following publication: Villeneuve, D., M. Angrish, M. Fortin, I. Katsiadaki, M. Leonard, L. Margiotta-Casaluci, S. Munn, J. O'Brien, N. Pollesch, C. Smith, X. Zhang, and D. Knapen. Adverse outcome pathway networks II: Network analytics. ENVIRONMENTAL TOXICOLOGY AND CHEMISTRY. Society of Environmental Toxicology and Chemistry, Pensacola, FL, USA, 37(6): 1734-1748, (2018).