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SAR and QSAR in Environmental Research Volume 34, 2023 - Issue 12
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Research Article

Evaluation of QSAR models for predicting mutagenicity: outcome of the Second Ames/QSAR international challenge project

A. Furuhamaa Division of Genetics and Mutagenesis (DGM), National Institute of Health Sciences (NIHS), Kawasaki, JapanCorrespondence[email protected]
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A. Kitazawaa Division of Genetics and Mutagenesis (DGM), National Institute of Health Sciences (NIHS), Kawasaki, JapanView further author information
,
J. Yaob Key Laboratory of Fluorine and Nitrogen Chemistry and Advanced Materials (Chinese Academy of Sciences), Shanghai Institute of Organic Chemistry, Chinese Academy of Sciences (SIOC, CAS), Shanghai, ChinaView further author information
,
C.E. Matos dos Santosc Department of Computational Toxicology and In Silico Innovations, Altox Ltd, São Paulo-SP, BrazilORCID Iconhttps://orcid.org/0000-0002-3267-6297View further author information
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J. Rathmand MN-AM, Nuremberg, Germany/Columbus, OH, USAORCID Iconhttps://orcid.org/0000-0002-3910-6844View further author information
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C. Yangd MN-AM, Nuremberg, Germany/Columbus, OH, USAORCID Iconhttps://orcid.org/0000-0003-2529-866XView further author information
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J.V. Ribeirod MN-AM, Nuremberg, Germany/Columbus, OH, USAView further author information
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K. Crosse In Silico Department, Instem, Conshohocken, PA, USAORCID Iconhttps://orcid.org/0000-0002-2462-0533View further author information
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G. Myatte In Silico Department, Instem, Conshohocken, PA, USAView further author information
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G. Raitanof Laboratory of Environmental Toxicology and Chemistry, Department of Environmental Health Sciences, Istituto di Ricerche Farmacologiche Mario Negri IRCCS (IRFMN), Milano, ItalyORCID Iconhttps://orcid.org/0000-0001-6802-5595View further author information
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E. Benfenatif Laboratory of Environmental Toxicology and Chemistry, Department of Environmental Health Sciences, Istituto di Ricerche Farmacologiche Mario Negri IRCCS (IRFMN), Milano, ItalyORCID Iconhttps://orcid.org/0000-0002-3976-5989View further author information
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N. Jeliazkovag IdeaConsult Ltd, Sofia, BulgariaORCID Iconhttps://orcid.org/0000-0002-4322-6179View further author information
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R. Saiakhovh MultiCASE Inc, Mayfield Height, OH, USAORCID Iconhttps://orcid.org/0009-0002-2219-585XView further author information
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S. Chakravartih MultiCASE Inc, Mayfield Height, OH, USAORCID Iconhttps://orcid.org/0000-0001-7745-8747View further author information
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R.S. Fosteri Lhasa Ltd, Leeds, UKORCID Iconhttps://orcid.org/0000-0003-0618-9046View further author information
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C. Bossaj Environment and Health Department, Istituto Superiore di Sanità (ISS), Rome, ItalyORCID Iconhttps://orcid.org/0000-0003-2084-2902View further author information
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C. Laura Battistellij Environment and Health Department, Istituto Superiore di Sanità (ISS), Rome, ItalyORCID Iconhttps://orcid.org/0000-0003-2386-0727View further author information
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R. Benignij Environment and Health Department, Istituto Superiore di Sanità (ISS), Rome, Italy;k Alpha‐PreTox, Rome, ItalyORCID Iconhttps://orcid.org/0000-0003-0943-1811View further author information
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T. Sawadal Faculty of Regional Studies, Gifu University, Gifu, Japan;m xenoBiotic Inc, Gifu, JapanORCID Iconhttps://orcid.org/0009-0005-3629-7234View further author information
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H. Wasadal Faculty of Regional Studies, Gifu University, Gifu, JapanORCID Iconhttps://orcid.org/0000-0003-1694-9619View further author information
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T. Hashimotol Faculty of Regional Studies, Gifu University, Gifu, JapanORCID Iconhttps://orcid.org/0009-0001-8582-5807View further author information
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M. Wun Massachusetts Institute of Technology, Cambridge, MA, USAView further author information
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R. Barzilayn Massachusetts Institute of Technology, Cambridge, MA, USAView further author information
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P.R. Dagao Simulations Plus, Lancaster, CA, USAORCID Iconhttps://orcid.org/0000-0002-2508-0903View further author information
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R.D. Clarko Simulations Plus, Lancaster, CA, USAORCID Iconhttps://orcid.org/0000-0001-9509-8132View further author information
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J. Mestresp Chemotargets, Barcelona, SpainORCID Iconhttps://orcid.org/0000-0002-5202-4501View further author information
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A. Monterop Chemotargets, Barcelona, SpainView further author information
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E. Gregori-Puigjanép Chemotargets, Barcelona, SpainView further author information
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P. Petkovq LMC - Bourgas University, Bourgas, BulgariaView further author information
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H. Ivanovaq LMC - Bourgas University, Bourgas, BulgariaView further author information
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O. Mekenyanq LMC - Bourgas University, Bourgas, BulgariaView further author information
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S. Matthewsr Computational Pharmacology & Toxicology Laboratory, Discipline of Pharmacology, School of Pharmacy, Faculty of Medicine and Health, The University of Sydney, Sydney, AustraliaORCID Iconhttps://orcid.org/0000-0002-1652-543XView further author information
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D. Guanr Computational Pharmacology & Toxicology Laboratory, Discipline of Pharmacology, School of Pharmacy, Faculty of Medicine and Health, The University of Sydney, Sydney, AustraliaORCID Iconhttps://orcid.org/0000-0001-6290-3166View further author information
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J. Spicerr Computational Pharmacology & Toxicology Laboratory, Discipline of Pharmacology, School of Pharmacy, Faculty of Medicine and Health, The University of Sydney, Sydney, AustraliaORCID Iconhttps://orcid.org/0009-0005-6890-2128View further author information
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R. Luir Computational Pharmacology & Toxicology Laboratory, Discipline of Pharmacology, School of Pharmacy, Faculty of Medicine and Health, The University of Sydney, Sydney, AustraliaORCID Iconhttps://orcid.org/0000-0003-4673-9030View further author information
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Y. Uesawas Department of Medical Molecular Informatics, Meiji Pharmaceutical University, Tokyo, JapanORCID Iconhttps://orcid.org/0000-0002-5773-991XView further author information
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K. Kurosakis Department of Medical Molecular Informatics, Meiji Pharmaceutical University, Tokyo, JapanView further author information
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Y. Matsuzakas Department of Medical Molecular Informatics, Meiji Pharmaceutical University, Tokyo, JapanView further author information
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S. Sasakis Department of Medical Molecular Informatics, Meiji Pharmaceutical University, Tokyo, JapanView further author information
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M.T.D. Cronint School of Pharmacy and Biomolecular Sciences, Liverpool John Moores University, Liverpool, UKORCID Iconhttps://orcid.org/0000-0002-6207-4158View further author information
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S.J. Belfieldt School of Pharmacy and Biomolecular Sciences, Liverpool John Moores University, Liverpool, UKORCID Iconhttps://orcid.org/0000-0002-6532-2532View further author information
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J.W. Firmant School of Pharmacy and Biomolecular Sciences, Liverpool John Moores University, Liverpool, UKORCID Iconhttps://orcid.org/0000-0003-0319-1407View further author information
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N. Spînut School of Pharmacy and Biomolecular Sciences, Liverpool John Moores University, Liverpool, UKORCID Iconhttps://orcid.org/0000-0002-9465-3090View further author information
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M. Qiuu Evergreen AI, Inc, Toronto, CanadaView further author information
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J.M. Kecau Evergreen AI, Inc, Toronto, CanadaView further author information
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G. Giniv Department of Electronics, Information and Bioengineering (DEIB), Politecnico di Milano, Milano, ItalyORCID Iconhttps://orcid.org/0000-0002-0334-420XView further author information
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T. Liw Division of Bioinformatics and Biostatistics, National Center for Toxicological Research, U.S. Food and Drug Administration (NCTR/FDA), Jefferson, AR, USAView further author information
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W. Tongw Division of Bioinformatics and Biostatistics, National Center for Toxicological Research, U.S. Food and Drug Administration (NCTR/FDA), Jefferson, AR, USAView further author information
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H. Hongw Division of Bioinformatics and Biostatistics, National Center for Toxicological Research, U.S. Food and Drug Administration (NCTR/FDA), Jefferson, AR, USAORCID Iconhttps://orcid.org/0000-0001-8087-3968View further author information
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Z. Liuw Division of Bioinformatics and Biostatistics, National Center for Toxicological Research, U.S. Food and Drug Administration (NCTR/FDA), Jefferson, AR, USA;x Integrative Toxicology, Nonclinical Drug Safety, Boehringer Ingelheim Pharmaceuticals, Inc, Ridgefield, CT, USAView further author information
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Y. Igarashiy Artificial Intelligence Center for Health and Biomedical Research, National Institutes of Biomedical Innovation, Health and Nutrition (NIBIOHN), Osaka, JapanORCID Iconhttps://orcid.org/0000-0001-8636-796XView further author information
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H. Yamaday Artificial Intelligence Center for Health and Biomedical Research, National Institutes of Biomedical Innovation, Health and Nutrition (NIBIOHN), Osaka, JapanView further author information
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K.-I. Sugiyamaa Division of Genetics and Mutagenesis (DGM), National Institute of Health Sciences (NIHS), Kawasaki, JapanView further author information
&
M. Honmaa Division of Genetics and Mutagenesis (DGM), National Institute of Health Sciences (NIHS), Kawasaki, JapanView further author information
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Pages 983-1001 | Received 11 Sep 2023, Accepted 13 Nov 2023, Published online: 04 Dec 2023

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