ArticleEnvironmental health perspectives2021
CATMoS: Collaborative Acute Toxicity Modeling Suite.
Erratum issuedOpen access · diamondAbstract read
In one paragraph
Article in Environmental health perspectives, 2021. The graph could read no effect estimate from its abstract, so it casts no vote on the map. An erratum has been issued. Cited by 57 papers.
0numbers the graph read from it
0cells of the map it votes in
57citing papers in PubMed
15.1field-weighted citation impact, top 1% of its field
What it found
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The abstract states no effect estimate the extractor could read, or names no intervention and outcome on the map, so this paper lights no cell and moves no belief. It is still indexed, cited and linked below.
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Trials whose registry record cites this paper, or whose number appears in the abstract. A trial that started after this paper was published is citing it as background, not reporting it.
Neither the registry nor the abstract names a trial number. If this is a trial report, that itself is worth knowing.
Who cites it
57 citing papers in PubMed, 131 citations in OpenAlex.
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- Integration of Machine Learning With PBPK and QSAR Modeling Approaches to Facilitate Drug Discovery and Development.CPT: pharmacometrics & systems pharmacology · 2026Review
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- Expert opinion: Seeking truth through inquiry: A discussion on the online news from Science on November 21, "Exclusive: CDC to end all monkey research".Animal models and experimental medicine · 2025Article
- Comprehensive reexamination of the acute toxicity of nitrogen mustards: HN-1, HN-2 and HN-3 as blister agents: application of multi in silico approach.Archives of toxicology · 2025Article
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- ToxACoL: an endpoint-aware and task-focused compound representation learning paradigm for acute toxicity assessment.Nature communications · 2025Article
- Advancing systemic toxicity risk assessment: Evaluation of a NAM-based toolbox approach.Toxicological sciences : an official journal of the Society of Toxicology · 2025Article
- An advancement in developmental and reproductive toxicity (DART) risk assessment: evaluation of a bioactivity and exposure-based NAM toolbox.Frontiers in toxicology · 2025Article
- Prediction of chemical-induced acute toxicity using in vitro assay data and chemical structure.Toxicology and applied pharmacology · 2024Article
- Two-Stage Machine Learning-Based Approach to Predict Points of Departure for Human Noncancer and Developmental/Reproductive Effects.Environmental science & technology · 2024Article
- The rat acute oral toxicity of trifluoromethyl compounds (TFMs): a computational toxicology study combining the 2D-QSTR, read-across and consensus modeling methods.Archives of toxicology · 2024Article
- The estimation of acute oral toxicity (LDArchives of toxicology · 2024Article
Corrections and comments
- Erratum issued
- Erratum issued
Authors and funding
102 authors at 20 institutions in 9 countries.
Kamel MansouriIntegrated Laboratory Systems, LLC, Morrisville, North Carolina, USA.
Agnes L KarmausIntegrated Laboratory Systems, LLC, Morrisville, North Carolina, USA.
Jeremy FitzpatrickScitoVation, Research Triangle Park, North Carolina, USA.
Grace PatlewiczCenter for Computational Toxicology and Exposure, U.S. Environmental Protection Agency, Research Triangle Park, North Carolina, USA.
Prachi PradeepCenter for Computational Toxicology and Exposure, U.S. Environmental Protection Agency, Research Triangle Park, North Carolina, USA.
Domenico AlbergaDipartimento di Farmacia-Scienze del Farmaco, Università degli Studi di Bari "Aldo Moro", Bari, Italy.
Nathalie AlepeeL'Oréal Research & Innovation, Aulnay-sous-Bois, France.
Timothy E H AllenCentre for Molecular Informatics, Department of Chemistry, University of Cambridge, Cambridge, UK.
Dave AllenIntegrated Laboratory Systems, LLC, Morrisville, North Carolina, USA.
Vinicius M AlvesLaboratory for Molecular Modeling, Division of Chemical Biology and Medicinal Chemistry, UNC Eshelman School of Pharmacy, University of North Carolina, Chapel Hill, North Carolina, USA.
Carolina H AndradeLaboratory for Molecular Modeling and Design, Faculty of Pharmacy, Federal University of Goiás, Goiania, Brazil.
Tyler R AuernhammerThe Dow Chemical Company, Midland, Michigan, USA.
Davide BallabioMilano Chemometrics & QSAR Research Group, Department of Earth and Environmental Sciences, University of Milano-Bicocca, Milan, Italy.
Shannon BellIntegrated Laboratory Systems, LLC, Morrisville, North Carolina, USA.
Emilio BenfenatiLaboratory of Environmental Chemistry and Toxicology, Department of Environmental Health Sciences, Istituto di Ricerche Farmacologiche Mario Negri IRCCS, Milan, Italy.
Sudin BhattacharyaInstitute for Quantitative Health Science and Engineering, Department of Biomedical Engineering, Michigan State University, East Lansing, Michigan, USA.
Joyce V BastosLaboratory for Molecular Modeling and Design, Faculty of Pharmacy, Federal University of Goiás, Goiania, Brazil.
Stephen BoydDepartment of Plant, Soil, and Microbial Sciences, Michigan State University, East Lansing, Michigan, USA.
J B BrownKyoto University Graduate School of Medicine, Kyoto, Japan.
Stephen J CapuzziLaboratory for Molecular Modeling, Division of Chemical Biology and Medicinal Chemistry, UNC Eshelman School of Pharmacy, University of North Carolina, Chapel Hill, North Carolina, USA.
Yaroslav ChushakAeromedical Research Department, Force Health Protection, USAFSAM, Dayton, Ohio, USA.
Heather CiallellaCenter for Computational and Integrative Biology, Rutgers University, Camden, New Jersey, USA.
Alex M ClarkCollaborations Pharmaceuticals, Inc., Raleigh, North Carolina, USA.
Viviana ConsonniMilano Chemometrics & QSAR Research Group, Department of Earth and Environmental Sciences, University of Milano-Bicocca, Milan, Italy.
Pankaj R DagaSimulations Plus, Inc., Lancaster, California, USA.
Sean EkinsCollaborations Pharmaceuticals, Inc., Raleigh, North Carolina, USA.
Sherif FaragLaboratory for Molecular Modeling, Division of Chemical Biology and Medicinal Chemistry, UNC Eshelman School of Pharmacy, University of North Carolina, Chapel Hill, North Carolina, USA.
Maxim FedorovSkoltech, Skolkovo Institute of Science and Technology, Moscow, Russia.
Denis FourchesDepartment of Chemistry, North Carolina State University, Raleigh, North Carolina, USA.
Domenico GadaletaLaboratory of Environmental Chemistry and Toxicology, Department of Environmental Health Sciences, Istituto di Ricerche Farmacologiche Mario Negri IRCCS, Milan, Italy.
Feng GaoDepartment of Plant, Soil, and Microbial Sciences, Michigan State University, East Lansing, Michigan, USA.
Jeffery M GearhartAeromedical Research Department, Force Health Protection, USAFSAM, Dayton, Ohio, USA.
Garett GohPacific Northwest National Laboratory, Richland, Washington, USA.
Jonathan M GoodmanCentre for Molecular Informatics, Department of Chemistry, University of Cambridge, Cambridge, UK.
Francesca GrisoniMilano Chemometrics & QSAR Research Group, Department of Earth and Environmental Sciences, University of Milano-Bicocca, Milan, Italy.
Christopher M GrulkeCenter for Computational Toxicology and Exposure, U.S. Environmental Protection Agency, Research Triangle Park, North Carolina, USA.
Thomas HartungUnderwriters Laboratories, Northbrook, Illinois, USA.
Matthew HirnDepartment of Computational Mathematics, Science & Engineering, Department of Mathematics, Michigan State University, East Lansing, Michigan, USA.
Pavel KarpovInstitute of Structural Biology, Helmholtz Zentrum München (GmbH), Neuherberg, Germany.
Alexandru KorotcovScience Data Software, LLC, Rockville, Maryland, USA.
Giovanna J LavadoLaboratory of Environmental Chemistry and Toxicology, Department of Environmental Health Sciences, Istituto di Ricerche Farmacologiche Mario Negri IRCCS, Milan, Italy.
Michael LawlessSimulations Plus, Inc., Lancaster, California, USA.
Xinhao LiDepartment of Chemistry, North Carolina State University, Raleigh, North Carolina, USA.
Thomas LuechtefeldUnderwriters Laboratories, Northbrook, Illinois, USA.
Filippo LunghiniLaboratoire de Chemoinformatique, URM7140, Université de Strasbourg, Strasbourg, France.
Giuseppe F MangiatordiDipartimento di Farmacia-Scienze del Farmaco, Università degli Studi di Bari "Aldo Moro", Bari, Italy.
Gilles MarcouLaboratoire de Chemoinformatique, URM7140, Université de Strasbourg, Strasbourg, France.
Dan MarshUnderwriters Laboratories, Northbrook, Illinois, USA.
Todd MartinCenter for Computational Toxicology and Exposure, U.S. Environmental Protection Agency, Cincinnati, Ohio, USA.
Andrea MauriAlvascience Srl, Lecco, Italy.
Eugene N MuratovLaboratory for Molecular Modeling, Division of Chemical Biology and Medicinal Chemistry, UNC Eshelman School of Pharmacy, University of North Carolina, Chapel Hill, North Carolina, USA.
Glenn J MyattLeadscope Inc., Columbus, Ohio, USA.
Dac-Trung NguyenNational Center for Advancing Translational Sciences, National Institutes of Health, Rockville, Maryland, USA.
Orazio NicolottiDipartimento di Farmacia-Scienze del Farmaco, Università degli Studi di Bari "Aldo Moro", Bari, Italy.
Reine NoteL'Oréal Research & Innovation, Aulnay-sous-Bois, France.
Paritosh PandePacific Northwest National Laboratory, Richland, Washington, USA.
Amanda K ParksThe Dow Chemical Company, Midland, Michigan, USA.
Tyler PeryeaNational Center for Advancing Translational Sciences, National Institutes of Health, Rockville, Maryland, USA.
Ahsan H PolashKyoto University Graduate School of Medicine, Kyoto, Japan.
Robert RalloPacific Northwest National Laboratory, Richland, Washington, USA.
Alessandra RoncaglioniLaboratory of Environmental Chemistry and Toxicology, Department of Environmental Health Sciences, Istituto di Ricerche Farmacologiche Mario Negri IRCCS, Milan, Italy.
Craig RowlandsUnderwriters Laboratories, Northbrook, Illinois, USA.
Patricia RuizOffice of Innovation and Analytics, Agency for Toxic Substances and Disease Registry, Centers for Disease Control and Prevention, Atlanta, Georgia, USA.
Daniel P RussoCenter for Computational and Integrative Biology, Rutgers University, Camden, New Jersey, USA.
Ahmed SayedRosettastein Consulting UG, Freising, Germany.
Risa SayreCenter for Computational Toxicology and Exposure, U.S. Environmental Protection Agency, Research Triangle Park, North Carolina, USA.
Timothy SheilsNational Center for Advancing Translational Sciences, National Institutes of Health, Rockville, Maryland, USA.
Charles SiegelPacific Northwest National Laboratory, Richland, Washington, USA.
Arthur C SilvaLaboratory for Molecular Modeling and Design, Faculty of Pharmacy, Federal University of Goiás, Goiania, Brazil.
Anton SimeonovNational Center for Advancing Translational Sciences, National Institutes of Health, Rockville, Maryland, USA.
Sergey SosninSkoltech, Skolkovo Institute of Science and Technology, Moscow, Russia.
Noel SouthallNational Center for Advancing Translational Sciences, National Institutes of Health, Rockville, Maryland, USA.
Judy StricklandIntegrated Laboratory Systems, LLC, Morrisville, North Carolina, USA.
Yun TangShanghai Key Laboratory of New Drug Design, School of Pharmacy, East China University of Science and Technology, Shanghai, China.
Brian TeppenDepartment of Plant, Soil, and Microbial Sciences, Michigan State University, East Lansing, Michigan, USA.
Igor V TetkoInstitute of Structural Biology, Helmholtz Zentrum München (GmbH), Neuherberg, Germany.
Dennis ThomasPacific Northwest National Laboratory, Richland, Washington, USA.
Valery TkachenkoScience Data Software, LLC, Rockville, Maryland, USA.
Roberto TodeschiniMilano Chemometrics & QSAR Research Group, Department of Earth and Environmental Sciences, University of Milano-Bicocca, Milan, Italy.
Cosimo TomaLaboratory of Environmental Chemistry and Toxicology, Department of Environmental Health Sciences, Istituto di Ricerche Farmacologiche Mario Negri IRCCS, Milan, Italy.
Ignacio TripodiComputer Science/Interdisciplinary Quantitative Biology, University of Colorado, Boulder, Colorado, USA.
Daniela TrisciuzziDipartimento di Farmacia-Scienze del Farmaco, Università degli Studi di Bari "Aldo Moro", Bari, Italy.
Alexander TropshaLaboratory for Molecular Modeling, Division of Chemical Biology and Medicinal Chemistry, UNC Eshelman School of Pharmacy, University of North Carolina, Chapel Hill, North Carolina, USA.
Alexandre VarnekLaboratoire de Chemoinformatique, URM7140, Université de Strasbourg, Strasbourg, France.
Kristijan VukovicLaboratory of Environmental Chemistry and Toxicology, Department of Environmental Health Sciences, Istituto di Ricerche Farmacologiche Mario Negri IRCCS, Milan, Italy.
Zhongyu WangSchool of Environmental Sciences and Technology, Dalian University of Technology; Dalian, Liaoning, China.
Liguo WangSchool of Environmental Sciences and Technology, Dalian University of Technology; Dalian, Liaoning, China.
Katrina M WatersPacific Northwest National Laboratory, Richland, Washington, USA.
Andrew J WedlakeCentre for Molecular Informatics, Department of Chemistry, University of Cambridge, Cambridge, UK.
Sanjeeva J WijeyesakereThe Dow Chemical Company, Midland, Michigan, USA.
Dan WilsonThe Dow Chemical Company, Midland, Michigan, USA.
Zijun XiaoSchool of Environmental Sciences and Technology, Dalian University of Technology; Dalian, Liaoning, China.
Hongbin YangShanghai Key Laboratory of New Drug Design, School of Pharmacy, East China University of Science and Technology, Shanghai, China.
Gergely Zahoranszky-KohalmiNational Center for Advancing Translational Sciences, National Institutes of Health, Rockville, Maryland, USA.
Alexey V ZakharovNational Center for Advancing Translational Sciences, National Institutes of Health, Rockville, Maryland, USA.
Fagen F ZhangThe Dow Chemical Company, Midland, Michigan, USA.
Zhen ZhangDow Agrosciences, Indianapolis, Indiana, USA.
Tongan ZhaoNational Center for Advancing Translational Sciences, National Institutes of Health, Rockville, Maryland, USA.
Hao ZhuCenter for Computational and Integrative Biology, Rutgers University, Camden, New Jersey, USA.
Kimberley M ZornCollaborations Pharmaceuticals, Inc., Raleigh, North Carolina, USA.
Warren CaseyNational Toxicology Program Interagency Center for the Evaluation of Alternative Toxicological Methods, Research Triangle Park, North Carolina, USA.
Nicole C KleinstreuerNational Toxicology Program Interagency Center for the Evaluation of Alternative Toxicological Methods, Research Triangle Park, North Carolina, USA.
National Institutes of Health · USMario Negri Institute for Pharmacological Research · ITPacific Northwest National Laboratory · USDow Chemical (United States) · USEnvironmental Protection Agency · USMichigan State University · USUniversity of North Carolina at Chapel Hill · USIntegrated Laboratory Systems, Inc. · USResearch Triangle Park Foundation · USUL Research Institutes · USUniversity of Bari Aldo Moro · ITUniversity of Milano-Bicocca · ITCollaborations Pharmaceuticals (United States) · USDalian University of Technology · CNRutgers, The State University of New Jersey · USUniversidade Federal de Goiás · BRUniversité de Strasbourg · FRUniversity of Cambridge · GBEast China University of Science and Technology · CNHelmholtz Zentrum München · DE
Funding
Research Services Section (RSS)ZICTR000242 · NCATS · NATIONAL CENTER FOR ADVANCING TRANSLATIONAL SCIENCES · PI WILSON, KELLI · 2015 to 2025
$64.9MResearch Experience and Training Coordination CoreP42ES016465 · NIEHS · OREGON STATE UNIVERSITY · PI Robyn L Tanguay · 2009 to 2026
$52.5MTranslational Research Support CoreP30ES005022 · NIEHS · UNIV OF MED/DENT NJ-R W JOHNSON MED SCH · PI PANOS G. GEORGOPOULOS · 1988 to 2026
$47.4MBiomolecular Screening and Alternative Approaches for the National Toxicology ProgramZIAES103318 · NIEHS · NATIONAL INSTITUTE OF ENVIRONMENTAL HEALTH SCIENCES · PI CASEY, WARREN · 2016 to 2021
$25.0MInformatics Research CoreZICTR000410 · NCATS · NATIONAL CENTER FOR ADVANCING TRANSLATIONAL SCIENCES · PI MATHÉ, EWY · 2021 to 2025
$11.7MCentralized assay datasets for modelling support of small drug discovery organizationsR44GM122196 · NIGMS · COLLABORATIONS PHARMACEUTICALS, INC. · PI EKINS, SEAN · 2018 to 2022
$3.3MMechanism-Driven Virtual Adverse Outcome Pathway Modeling for HepatotoxicityR01ES031080 · NIEHS · TULANE UNIVERSITY OF LOUISIANA · PI ZHU, HAO · 2020 to 2024
$2.3MPredictive Computational Acute Toxicity Modeling by Profiling Chemicals With PublR15ES023148 · NIEHS · RUTGERS THE STATE UNIV OF NJ CAMDEN · PI ZHU, HAO · 2013 to 2018
$941kMegaTox for analyzing and visualizing data across different screening systemsR43ES031038 · NIEHS · COLLABORATIONS PHARMACEUTICALS, INC. · PI EKINS, SEAN · 2019 to 2020
$349kNIEHS NIH HHS HHSN273201500010CNIEHS NIH HHS P30 ES005022NIEHS NIH HHS P42 ES016465NIEHS NIH HHS R01 ES031080NIEHS NIH HHS R15 ES023148NIEHS NIH HHS R43 ES031038NIGMS NIH HHS R44 GM122196
Abstract
backgroundHumans are exposed to tens of thousands of chemical substances that need to be assessed for their potential toxicity. Acute systemic toxicity testing serves as the basis for regulatory hazard classification, labeling, and risk management. However, it is cost- and time-prohibitive to evaluate all new and existing chemicals using traditional rodent acute toxicity tests.
objectivesThe U.S. Interagency Coordinating Committee on the Validation of Alternative Methods (ICCVAM) Acute Toxicity Workgroup organized an international collaboration to develop
methodsAn 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.
resultsThe resulting consensus predictions, which leverage the collective strengths of each individual model, form the Collaborative Acute Toxicity Modeling Suite (CATMoS). CATMoS demonstrated high performance in terms of accuracy and robustness when compared with DISCUSSION: CATMoS is being evaluated by regulatory agencies for its utility and applicability as a potential replacement for
Indexed as
Government AgenciesAnimalsComputer SimulationRatsToxicity Tests, AcuteUnited StatesUnited States Environmental Protection Agency
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