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Expert Opinion on Drug Metabolism & Toxicology Volume 16, 2020 - Issue 8
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Review

In silico models for genotoxicity and drug regulation

Romualdo Benignia Alpha-PreTox, Rome, ItalyCorrespondence[email protected]
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,
Arianna Bassanb Innovatune Srl, Padova, ItalyView further author information
&
Manuela Pavanb Innovatune Srl, Padova, ItalyView further author information
Pages 651-662 | Received 24 Feb 2020, Accepted 17 Jun 2020, Published online: 28 Jun 2020

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Ece Avuloglu-Yilmaz, Deniz Yuzbasioglu & Fatma Unal. (2023) Assessment of the genotoxic effects of antihypertensive drug active ingredient indapamide in human lymphocytes. Drug and Chemical Toxicology 46:2, pages 297-303.
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Silvia Rossi, Simona Bussi, Roberta Bonafè, Carola Incardona, Emanuela Vurro, Massimo Visigalli, Federica Buonsanti & Roberta Fretta. (2024) Mutagenicity assessment of two potential impurities in preparations of 5-amino-2,4,6 triiodoisophthalic acid, a key intermediate in the synthesis of the iodinated contrast agent iopamidol. Mutation Research/Genetic Toxicology and Environmental Mutagenesis 893, pages 503720.
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Benjamin Christian Fischer, Yemurai Musengi, Jeannette König, Benjamin Sachse, Stefanie Hessel-Pras, Bernd Schäfer, Carsten Kneuer & Kristin Herrmann. (2023) Matrine and Oxymatrine: evaluating the gene mutation potential using in silico tools and the bacterial reverse mutation assay (Ames test) . Mutagenesis.
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Andrey A. Toropov, Alla P. Toropova, Alessandra Roncaglioni & Emilio Benfenati. (2023) In silico prediction of the mutagenicity of nitroaromatic compounds using correlation weights of fragments of local symmetry. Mutation Research/Genetic Toxicology and Environmental Mutagenesis 891, pages 503684.
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Anastasia Anceschi, Alessia Patrucco, Parag Bhavsar, Marina Zoccola, Mirko Tessari, Luca Erbazzi & Paolo Zamboni. (2023) Keratose Self-Cross-Linked Wound Dressing for Iron Sequestration in Chronic Wounds. ACS Omega 8:33, pages 30118-30128.
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Katarzyna Regulska, Agnieszka Matera-Witkiewicz, Aleksandra Mikołajczyk & Beata J. Stanisz. (2023) In silico and in vitro screening for carcinogenic potential of angiotensin-converting enzyme inhibitors and their degradation impurities. Toxicology and Applied Pharmacology 469, pages 116541.
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Roi Naveiro, María J. Martínez, Axel J. Soto, Ignacio Ponzoni, David Ríos-Insua & Nuria E. Campillo. 2023. Cheminformatics, QSAR and Machine Learning Applications for Novel Drug Development. Cheminformatics, QSAR and Machine Learning Applications for Novel Drug Development 263 284 .
Gulcin Tugcu, Hande Sipahi, Mohammad Charehsaz, Ahmet Aydın & Melek Türker Saçan. 2023. Cheminformatics, QSAR and Machine Learning Applications for Novel Drug Development. Cheminformatics, QSAR and Machine Learning Applications for Novel Drug Development 519 537 .
Aaron M. Sargeant, Arun R. Pandiri, Kathleen Funk, Thomas Nolte & Kevin Keane. 2023. Haschek and Rousseaux's Handbook of Toxicologic Pathology, Volume 2 : Safety Assessment Environmental Toxicologic Pathology. Haschek and Rousseaux's Handbook of Toxicologic Pathology, Volume 2 : Safety Assessment Environmental Toxicologic Pathology 125 172 .
María Jimena Martínez, María Virginia Sabando, Axel J. Soto, Carlos Roca, Carlos Requena-Triguero, Nuria E. Campillo, Juan A. Páez & Ignacio Ponzoni. (2022) Multitask Deep Neural Networks for Ames Mutagenicity Prediction. Journal of Chemical Information and Modeling 62:24, pages 6342-6351.
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David J. Ponting, Krista L. Dobo, Michelle O. Kenyon & Amit S. Kalgutkar. (2022) Strategies for Assessing Acceptable Intakes for Novel N -Nitrosamines Derived from Active Pharmaceutical Ingredients . Journal of Medicinal Chemistry 65:23, pages 15584-15607.
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Yurika Fujita & Hiroshi Honda. (2022) Detection and analysis of chemical-induced chromosomal damage for public health: integrating new approach methodologies and non-animal methods. Genes & Genetic Systems 97:6, pages 261-269.
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Nicolas K Shinada, Naoki Koyama, Megumi Ikemori, Tomoki Nishioka, Seiji Hitaoka, Atsushi Hakura, Shoji Asakura, Yukiko Matsuoka & Sucheendra K Palaniappan. (2022) Optimizing machine-learning models for mutagenicity prediction through better feature selection. Mutagenesis 37:3-4, pages 191-202.
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P.I. Petkov, H. Ivanova, M. Honma, T. Yamada, T. Morita, A. Furuhama, S. Kotov, E. Kaloyanova, G. Dimitrova & O. Mekenyan. (2022) Differences between in vitro and in vivo genotoxicity due to metabolism: The role of kinetics. Computational Toxicology 22, pages 100222.
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Kuldeep Rajpoot, Nimeet Desai, HariPriya Koppisetti, Muktika Tekade, Mukesh Chandra Sharma, Santosh Kumar Behera & Rakesh Kumar Tekade. 2022. Pharmacokinetics and Toxicokinetic Considerations. Pharmacokinetics and Toxicokinetic Considerations 357 383 .
. 2021. Mutagenic Impurities. Mutagenic Impurities 115 135 .
Romualdo Benigni. (2021) In silico assessment of genotoxicity. Combinations of sensitive structural alerts minimize false negative predictions for all genotoxicity endpoints and can single out chemicals for which experimentation can be avoided. Regulatory Toxicology and Pharmacology 126, pages 105042.
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Francisco Carlos da Silva Junior, Maria Beatriz Mesquita Cansanção Felipe, Denis Elvis Farias de Castro, Sinara Carla da Silva Araújo, Herbert Costa Nóbrega Sisenando & Silvia Regina Batistuzzo de Medeiros. (2021) A look beyond the priority: A systematic review of the genotoxic, mutagenic, and carcinogenic endpoints of non-priority PAHs. Environmental Pollution 278, pages 116838.
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Danijela Đukić-Ćosić, Katarina Baralić, Dragica Jorgovanović, Katarina Živančević, Dragana Javorac, Nikola Stojilković, Biljana Radović, Đurđica Marić, Marijana Ćurčić, Aleksandra Buha-Đorđević, Zorica Bulat, Evica Antonijević-Miljaković & Biljana Antonijević. (2021) 'In silico' toxicology methods in drug safety assessment. Arhiv za farmaciju 71:4, pages 257-278.
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Masamitsu Honma. (2020) Report of the Joint Meeting of the 6th Asian Congress on Environmental Mutagens and the 48th Annual Meeting of the Japanese Environmental Mutagen Society, Tokyo, November 18–20, 2019. Genes and Environment 42:1.
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Judith C. Madden, Steven J. Enoch, Alicia Paini & Mark T.D. Cronin. (2020) A Review of In Silico Tools as Alternatives to Animal Testing: Principles, Resources and Applications . Alternatives to Laboratory Animals 48:4, pages 146-172.
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