An automated computational data pipeline to rapidly acquire, score, and rank toxicological data for ecological hazard assessment.

Autor: Schaupp CM; Oak Ridge Institute for Science and Education, Oak Ridge, Tennessee, USA.; US Environmental Protection Agency, Great Lakes Toxicology and Ecology Division, Center for Computational Toxicology and Exposure, Duluth, Minnesota, USA., Byrne G; General Dynamics Information Technology Inc., Supporting USEPA IV (MAINES) Contract, Research Triangle Park, North Carolina, USA., Chan M; USEPA, Center for Computational Toxicology and Exposure, Scientific Computing and Data Curation Division, Data Management and Mining Branch, Research Triangle Park, North Carolina, USA., Haggard DE; USEPA, Center for Computational Toxicology and Exposure, Scientific Computing and Data Curation Division, Data Management and Mining Branch, Research Triangle Park, North Carolina, USA., Hazemi M; Oak Ridge Institute for Science and Education, Oak Ridge, Tennessee, USA.; US Environmental Protection Agency, Great Lakes Toxicology and Ecology Division, Center for Computational Toxicology and Exposure, Duluth, Minnesota, USA., Jankowski MD; USEPA, Region 10 Office, Laboratory Services & Applied Science Division, Risk Evaluation Branch, Seattle, Washington, USA., LaLone CA; US Environmental Protection Agency, Great Lakes Toxicology and Ecology Division, Center for Computational Toxicology and Exposure, Duluth, Minnesota, USA., LaTier A; USEPA, Region 10 Office, Laboratory Services & Applied Science Division, Risk Evaluation Branch, Seattle, Washington, USA., Mattingly KZ; Spec-Pro Professional Services, Duluth, Minnesota, USA., Olker JH; US Environmental Protection Agency, Great Lakes Toxicology and Ecology Division, Center for Computational Toxicology and Exposure, Duluth, Minnesota, USA., Renner J; USEPA, Scientific Computing and Data Curation Division, Center for Computational Toxicology and Exposure, Data Management and Mining Branch, Duluth, Minnesota, USA., Sharma B; USEPA, Center for Computational Toxicology and Exposure, Scientific Computing and Data Curation Division, Data Management and Mining Branch, Research Triangle Park, North Carolina, USA., Villeneuve DL; US Environmental Protection Agency, Great Lakes Toxicology and Ecology Division, Center for Computational Toxicology and Exposure, Duluth, Minnesota, USA.

Publikováno v: Integrated environmental assessment and management [Integr Environ Assess Manag] 2024 Nov; Vol. 20 (6), pp. 2203-2217. Date of Electronic Publication: 2024 May 16.

Cross-Species Molecular Docking Method to Support Predictions of Species Susceptibility to Chemical Effects.

Autor: Schumann PG; Oak Ridge Institute for Science and Education, Duluth, Minnesota, USA., Chang D; U.S. Environmental Protection Agency, Office of Research and Development, Center for Computational Toxicology and Exposure, Chemical Characterization and Exposure Division, Research Triangle Park, North Carolina, USA., Mayasich S; Aquatic Sciences Center, University of Wisconsin-Madison, Madison, Wisconsin, USA.; U.S. Environmental Protection Agency, Office of Research and Development, Center for Computational Toxicology and Exposure, Great Lakes Toxicology and Ecology Division, Duluth, Minnesota, USA., Vliet S; U.S. Environmental Protection Agency, Office of Research and Development, Center for Computational Toxicology and Exposure, Great Lakes Toxicology and Ecology Division, Duluth, Minnesota, USA., Brown T; U.S. Environmental Protection Agency, Office of Research and Development, Center for Computational Toxicology and Exposure, Scientific Computing and Data Curation Division, Duluth, Minnesota, USA., LaLone CA; U.S. Environmental Protection Agency, Office of Research and Development, Center for Computational Toxicology and Exposure, Great Lakes Toxicology and Ecology Division, Duluth, Minnesota, USA.

Publikováno v: Computational toxicology (Amsterdam, Netherlands) [Comput Toxicol] 2024 May 27; Vol. 30.

Linking Mechanistic Effects of Pharmaceuticals and Personal Care Products to Ecologically Relevant Outcomes: A Decade of Progress.

Autor: Ankley GT; US Environmental Protection Agency, Great Lakes Toxicology and Ecology Division, Duluth, Minnesota, USA., Berninger JP; US Environmental Protection Agency, Great Lakes Toxicology and Ecology Division, Duluth, Minnesota, USA., Maloney EM; University of Minnesota-Duluth, Integrated Biological Sciences Program, Duluth, Minnesota, USA., Olker JH; US Environmental Protection Agency, Great Lakes Toxicology and Ecology Division, Duluth, Minnesota, USA., Schaupp CM; Oak Ridge Institute for Science and Education, Duluth, Minnesota, USA., Villeneuve DL; US Environmental Protection Agency, Great Lakes Toxicology and Ecology Division, Duluth, Minnesota, USA., LaLone CA; US Environmental Protection Agency, Great Lakes Toxicology and Ecology Division, Duluth, Minnesota, USA.

Publikováno v: Environmental toxicology and chemistry [Environ Toxicol Chem] 2024 Mar; Vol. 43 (3), pp. 537-548. Date of Electronic Publication: 2022 Aug 24.

Putative adverse outcome pathway development based on physiological responses of female fathead minnows to model estrogen versus androgen receptor agonists.

Autor: Morshead ML; Oak Ridge Institute for Science and Education, US EPA, Great Lakes Toxicology and Ecology Division, Duluth, MN, USA., Jensen KM; US EPA, Great Lakes Toxicology and Ecology Division, Duluth, MN, USA., Ankley GT; US EPA, Great Lakes Toxicology and Ecology Division, Duluth, MN, USA., Vliet S; US EPA, Scientific Computing and Data Curation Division, Duluth, MN, USA., LaLone CA; US EPA, Great Lakes Toxicology and Ecology Division, Duluth, MN, USA., Aller AV; Arizona State University, School of Mathematical and Natural Sciences, Phoenix, AZ, USA., Watanabe KH; Arizona State University, School of Mathematical and Natural Sciences, Phoenix, AZ, USA., Villeneuve DL; US EPA, Great Lakes Toxicology and Ecology Division, Duluth, MN, USA. Electronic address: villeneuve.dan@epa.gov.

Publikováno v: Aquatic toxicology (Amsterdam, Netherlands) [Aquat Toxicol] 2023 Aug; Vol. 261, pp. 106607. Date of Electronic Publication: 2023 Jun 09.

Weight of evidence for cross-species conservation of androgen receptor-based biological activity.

Autor: Vliet SMF; U.S. Environmental Protection Agency, Office of Research and Development, Center for Computational Toxicology and Exposure, Scientific Computing and Data Curation Division, Duluth, Minnesota 55811, USA., Markey KJ; U.S. Environmental Protection Agency, Office of Pesticide Programs, Endocrine Disrupter Screening Program, Washington, District of Columbia 20460, USA., Lynn SG; U.S. Environmental Protection Agency, Office of Pesticide Programs, Endocrine Disrupter Screening Program, Washington, District of Columbia 20460, USA., Adetona A; Battelle Memorial Institute, Columbus, Ohio 43201, USA., Fallacara D; Battelle Memorial Institute, Columbus, Ohio 43201, USA., Ceger P; Inotiv, Morrisville, North Carolina 27560, USA., Choksi N; Inotiv, Morrisville, North Carolina 27560, USA., Karmaus AL; Inotiv, Morrisville, North Carolina 27560, USA., Watson A; Inotiv, Morrisville, North Carolina 27560, USA., Ewans A; Inotiv, Morrisville, North Carolina 27560, USA., Daniel AB; Inotiv, Morrisville, North Carolina 27560, USA., Hamm J; Inotiv, Morrisville, North Carolina 27560, USA., Vitense K; U.S. Environmental Protection Agency, Office of Research and Development, Center for Computational Toxicology and Exposure, Scientific Computing and Data Curation Division, Duluth, Minnesota 55811, USA., Wolf KA; Oak Ridge Associated Universities, Duluth, Minnesota 55804, USA., Thomas A; Battelle Memorial Institute, Columbus, Ohio 43201, USA., LaLone CA; U.S. Environmental Protection Agency, Office of Research and Development, Center for Computational Toxicology and Exposure, Great Lakes Toxicology and Ecology Division, Duluth, Minnesota 55804, USA.

Publikováno v: Toxicological sciences : an official journal of the Society of Toxicology [Toxicol Sci] 2023 May 31; Vol. 193 (2), pp. 131-145.