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

Autor: Furuhama A; Division of Genetics and Mutagenesis (DGM), National Institute of Health Sciences (NIHS), Kawasaki, Japan., Kitazawa A; Division of Genetics and Mutagenesis (DGM), National Institute of Health Sciences (NIHS), Kawasaki, Japan., Yao J; 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, China., Matos Dos Santos CE; Department of Computational Toxicology and In Silico Innovations, Altox Ltd, São Paulo-SP, Brazil., Rathman J; MN-AM, Nuremberg, Germany/Columbus, OH, USA., Yang C; MN-AM, Nuremberg, Germany/Columbus, OH, USA., Ribeiro JV; MN-AM, Nuremberg, Germany/Columbus, OH, USA., Cross K; In Silico Department, Instem, Conshohocken, PA, USA., Myatt G; In Silico Department, Instem, Conshohocken, PA, USA., Raitano G; Laboratory of Environmental Toxicology and Chemistry, Department of Environmental Health Sciences, Istituto di Ricerche Farmacologiche Mario Negri IRCCS (IRFMN), Milano, Italy., Benfenati E; Laboratory of Environmental Toxicology and Chemistry, Department of Environmental Health Sciences, Istituto di Ricerche Farmacologiche Mario Negri IRCCS (IRFMN), Milano, Italy., Jeliazkova N; IdeaConsult Ltd, Sofia, Bulgaria., Saiakhov R; MultiCASE Inc, Mayfield Height, OH, USA., Chakravarti S; MultiCASE Inc, Mayfield Height, OH, USA., Foster RS; Lhasa Ltd, Leeds, UK., Bossa C; Environment and Health Department, Istituto Superiore di Sanità (ISS), Rome, Italy., Battistelli CL; Environment and Health Department, Istituto Superiore di Sanità (ISS), Rome, Italy., Benigni R; Environment and Health Department, Istituto Superiore di Sanità (ISS), Rome, Italy.; Alpha-PreTox, Rome, Italy., Sawada T; Faculty of Regional Studies, Gifu University, Gifu, Japan.; xenoBiotic Inc, Gifu, Japan., Wasada H; Faculty of Regional Studies, Gifu University, Gifu, Japan., Hashimoto T; Faculty of Regional Studies, Gifu University, Gifu, Japan., Wu M; Massachusetts Institute of Technology, Cambridge, MA, USA., Barzilay R; Massachusetts Institute of Technology, Cambridge, MA, USA., Daga PR; Simulations Plus, Lancaster, CA, USA., Clark RD; Simulations Plus, Lancaster, CA, USA., Mestres J; Chemotargets, Barcelona, Spain., Montero A; Chemotargets, Barcelona, Spain., Gregori-Puigjané E; Chemotargets, Barcelona, Spain., Petkov P; LMC - Bourgas University, Bourgas, Bulgaria., Ivanova H; LMC - Bourgas University, Bourgas, Bulgaria., Mekenyan O; LMC - Bourgas University, Bourgas, Bulgaria., Matthews S; Computational Pharmacology & Toxicology Laboratory, Discipline of Pharmacology, School of Pharmacy, Faculty of Medicine and Health, The University of Sydney, Sydney, Australia., Guan D; Computational Pharmacology & Toxicology Laboratory, Discipline of Pharmacology, School of Pharmacy, Faculty of Medicine and Health, The University of Sydney, Sydney, Australia., Spicer J; Computational Pharmacology & Toxicology Laboratory, Discipline of Pharmacology, School of Pharmacy, Faculty of Medicine and Health, The University of Sydney, Sydney, Australia., Lui R; Computational Pharmacology & Toxicology Laboratory, Discipline of Pharmacology, School of Pharmacy, Faculty of Medicine and Health, The University of Sydney, Sydney, Australia., Uesawa Y; Department of Medical Molecular Informatics, Meiji Pharmaceutical University, Tokyo, Japan., Kurosaki K; Department of Medical Molecular Informatics, Meiji Pharmaceutical University, Tokyo, Japan., Matsuzaka Y; Department of Medical Molecular Informatics, Meiji Pharmaceutical University, Tokyo, Japan., Sasaki S; Department of Medical Molecular Informatics, Meiji Pharmaceutical University, Tokyo, Japan., Cronin MTD; School of Pharmacy and Biomolecular Sciences, Liverpool John Moores University, Liverpool, UK., Belfield SJ; School of Pharmacy and Biomolecular Sciences, Liverpool John Moores University, Liverpool, UK., Firman JW; School of Pharmacy and Biomolecular Sciences, Liverpool John Moores University, Liverpool, UK., Spînu N; School of Pharmacy and Biomolecular Sciences, Liverpool John Moores University, Liverpool, UK., Qiu M; Evergreen AI, Inc, Toronto, Canada., Keca JM; Evergreen AI, Inc, Toronto, Canada., Gini G; Department of Electronics, Information and Bioengineering (DEIB), Politecnico di Milano, Milano, Italy., Li T; Division of Bioinformatics and Biostatistics, National Center for Toxicological Research, U.S. Food and Drug Administration (NCTR/FDA), Jefferson, AR, USA., Tong W; Division of Bioinformatics and Biostatistics, National Center for Toxicological Research, U.S. Food and Drug Administration (NCTR/FDA), Jefferson, AR, USA., Hong H; Division of Bioinformatics and Biostatistics, National Center for Toxicological Research, U.S. Food and Drug Administration (NCTR/FDA), Jefferson, AR, USA., Liu Z; Division of Bioinformatics and Biostatistics, National Center for Toxicological Research, U.S. Food and Drug Administration (NCTR/FDA), Jefferson, AR, USA.; Integrative Toxicology, Nonclinical Drug Safety, Boehringer Ingelheim Pharmaceuticals, Inc, Ridgefield, CT, USA., Igarashi Y; Artificial Intelligence Center for Health and Biomedical Research, National Institutes of Biomedical Innovation, Health and Nutrition (NIBIOHN), Osaka, Japan., Yamada H; Artificial Intelligence Center for Health and Biomedical Research, National Institutes of Biomedical Innovation, Health and Nutrition (NIBIOHN), Osaka, Japan., Sugiyama KI; Division of Genetics and Mutagenesis (DGM), National Institute of Health Sciences (NIHS), Kawasaki, Japan., Honma M; Division of Genetics and Mutagenesis (DGM), National Institute of Health Sciences (NIHS), Kawasaki, Japan.

Publikováno v: SAR and QSAR in environmental research [SAR QSAR Environ Res] 2023 Oct-Dec; Vol. 34 (12), pp. 983-1001. Date of Electronic Publication: 2023 Dec 04.