CATMoS: Collaborative Acute Toxicity Modeling Suite
Kamel Mansouri(Research Triangle Park Foundation), Agnes L. Karmaus(Integrated Laboratory Systems, Inc.), Jeremy Fitzpatrick(Research Triangle Park Foundation), Grace Patlewicz(Environmental Protection Agency), Prachi Pradeep(Environmental Protection Agency), Domenico Alberga(University of Bari Aldo Moro), Nathalie Alépée(L'Oréal (France)), Timothy E. H. Allen(University of Cambridge), Dave Allen(Integrated Laboratory Systems, Inc.), Vinícius M. Alves(University of North Carolina at Chapel Hill), Carolina Horta Andrade(Universidade Federal de Goiás), Tyler R. Auernhammer(Dow Chemical (United States)), Davide Ballabio(University of Milano-Bicocca), Shannon Bell(Integrated Laboratory Systems, Inc.), Emilio Benfenati(Mario Negri Institute for Pharmacological Research), Sudin Bhattacharya(Michigan State University), Joyce V. Bastos(Universidade Federal de Goiás), Stephen A. Boyd(Michigan State University), J.B. Brown(Kyoto University), Stephen J. Capuzzi(University of North Carolina at Chapel Hill), Yaroslav Chushak(Henry M. Jackson Foundation), Heather L. Ciallella(Rutgers, The State University of New Jersey), Alex M. Clark(Collaborations Pharmaceuticals (United States)), Viviana Consonni(University of Milano-Bicocca), Pankaj Daga(Simulations Plus (United States)), Sean Ekins(Collaborations Pharmaceuticals (United States)), Sherif S. Farag(University of North Carolina at Chapel Hill), Maxim V. Fedorov(Skolkovo Institute of Science and Technology), Denis Fourches(North Carolina State University), Domenico Gadaleta(Mario Negri Institute for Pharmacological Research), Feng Gao(Michigan State University), Jeffery M. Gearhart(Henry M. Jackson Foundation), Garett Goh(Pacific Northwest National Laboratory), Jonathan M. Goodman(University of Cambridge), Francesca Grisoni(University of Milano-Bicocca), Chris Grulke(Environmental Protection Agency), Thomas Härtung(UL Research Institutes), Matthew Hirn(Michigan State University), Pavel Karpov(Helmholtz Zentrum München), Alexandru Korotcov, Giovanna J. Lavado(Mario Negri Institute for Pharmacological Research), Michael S. Lawless(Simulations Plus (United States)), Xinhao Li(North Carolina State University), Thomas Luechtefeld(UL Research Institutes), Filippo Lunghini(Université de Strasbourg), Giuseppe Felice Mangiatordi(University of Bari Aldo Moro), Gilles Marcou(Université de Strasbourg), Dan H. Marsh(UL Research Institutes), Todd M. Martin(Environmental Protection Agency), Andrea Mauri, Eugene Muratov(University of North Carolina at Chapel Hill), Glenn J. Myatt(LeadScope (United States)), Ðắc-Trung Nguyễn(National Institutes of Health), Orazio Nicolotti(University of Bari Aldo Moro), Reine Note(L'Oréal (France)), Paritosh Pande(Pacific Northwest National Laboratory), Amanda K. Parks(Dow Chemical (United States)), Tyler Peryea(National Institutes of Health), Ahsan Habib Polash(Kyoto University), Robert Ralló(Pacific Northwest National Laboratory), Alessandra Roncaglioni(Mario Negri Institute for Pharmacological Research), Craig Rowlands(UL Research Institutes), Patricia Ruiz(Centers for Disease Control and Prevention), Daniel P. Russo(Rutgers, The State University of New Jersey), Ahmed E Sayed, Risa Sayre(Environmental Protection Agency), Timothy Sheils(National Institutes of Health), Charles Siegel(Pacific Northwest National Laboratory), Arthur C. Silva(Universidade Federal de Goiás), Anton Simeonov(National Institutes of Health), Sergey Sosnin(Skolkovo Institute of Science and Technology), Noel Southall(National Institutes of Health), Judy Strickland(Integrated Laboratory Systems, Inc.), Yun Tang(East China University of Science and Technology), Brian J. Teppen(Michigan State University), Igor V. Tetko(Helmholtz Zentrum München), Dennis Thomas(Pacific Northwest National Laboratory), Valery Tkachenko, Roberto Todeschini(University of Milano-Bicocca), Cosimo Toma(Mario Negri Institute for Pharmacological Research), Ignacio J. Tripodi(University of Colorado Boulder), Daniela Trisciuzzi(University of Bari Aldo Moro), Alexander Tropsha(University of North Carolina at Chapel Hill), Alexandre Varnek(Université de Strasbourg), Kristijan Vuković(Mario Negri Institute for Pharmacological Research), Zhongyu Wang(Dalian University of Technology), Liguo Wang(Dalian University of Technology), Katrina M. Waters(Pacific Northwest National Laboratory), Andrew J. Wedlake(University of Cambridge), Sanjeeva J. Wijeyesakere(Dow Chemical (United States)), Dan Wilson(Dow Chemical (United States)), Zijun Xiao(Dalian University of Technology), Hongbin Yang(East China University of Science and Technology), Gergely Zahoránszky-Köhalmi(National Institutes of Health), Alexey Zakharov(National Institutes of Health), Fagen F. Zhang(Dow Chemical (United States)), Zhen Zhang, Tongan Zhao(National Institutes of Health), Hao Zhu(Rutgers, The State University of New Jersey), Kimberley M. Zorn(Collaborations Pharmaceuticals (United States)), Warren Casey(Research Triangle Park Foundation), Nicole Kleinstreuer(Research Triangle Park Foundation)
Cited by 137Open Access
Abstract
BACKGROUND: models built using existing data facilitate rapid acute toxicity predictions without using animals. OBJECTIVES: ). METHODS: An acute oral toxicity data inventory for 11,992 chemicals was compiled, split into training and evaluation sets, and made available to 35 participating international research groups that submitted a total of 139 predictive models. Predictions that fell within the applicability domains of the submitted models were evaluated using external validation sets. These were then combined into consensus models to leverage strengths of individual approaches. RESULTS: results. DISCUSSION: rat acute oral toxicity studies. CATMoS predictions for more than 800,000 chemicals have been made available via the National Toxicology Program's Integrated Chemical Environment tools and data sets (ice.ntp.niehs.nih.gov). The models are also implemented in a free, standalone, open-source tool, OPERA, which allows predictions of new and untested chemicals to be made. https://doi.org/10.1289/EHP8495.
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