Citations (56)
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Jakub Trawiński, Ewelina Kozioł & Robert Skibiński. (2020) Influence of the UV–Vis irradiation on the acute toxicity to zebrafish and mutagenicity of the selected psychotropic drugs. Journal of Environmental Science and Health, Part A 55:14, pages 1624-1637.
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A. Tintó-Moliner & M. Martin. (2020) Quantitative weight of evidence method for combining predictions of quantitative structure-activity relationship models. SAR and QSAR in Environmental Research 31:4, pages 261-279.
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E. Benfenati, A. Golbamaki, G. Raitano, A. Roncaglioni, S. Manganelli, F. Lemke, U. Norinder, Elena Lo Piparo, M. Honma, A. Manganaro & G. Gini. (2018) A large comparison of integrated SAR/QSAR models of the Ames test for mutagenicity$. SAR and QSAR in Environmental Research 29:8, pages 591-611.
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Domenico Gadaleta, Nicola Porta, Eleni Vrontaki, Serena Manganelli, Alberto Manganaro, Guido Sello, Masamitsu Honma & Emilio Benfenati. (2017) Integrating computational methods to predict mutagenicity of aromatic azo compounds. Journal of Environmental Science and Health, Part C 35:4, pages 239-257.
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Alan Boobis, Paul Brown, Mark Timothy David Cronin, James Edwards, Corrado Lodovico Galli, Jay Goodman, Abigail Jacobs, David Kirkland, Mirjam Luijten, Cyril Marsaux, Matthew Martin, Chihae Yang & Heli Miriam Hollnagel. (2017) Origin of the TTC values for compounds that are genotoxic and/or carcinogenic and an approach for their re-evaluation. Critical Reviews in Toxicology 47:8, pages 710-732.
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S. A. Kulkarni, E. Benfenati & T. S. Barton-Maclaren. (2016) Improving confidence in (Q)SAR predictions under Canada’s Chemicals Management Plan – a chemical space approach. SAR and QSAR in Environmental Research 27:10, pages 851-863.
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E. Benfenati, M. Belli, T. Borges, E. Casimiro, J. Cester, A. Fernandez, G. Gini, M. Honma, M. Kinzl, R. Knauf, A. Manganaro, E. Mombelli, M. I. Petoumenou, M. Paparella, P. Paris & G. Raitano. (2016) Results of a round-robin exercise on read-across. SAR and QSAR in Environmental Research 27:5, pages 371-384.
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Azadi Golbamaki, Emilio Benfenati, Nazanin Golbamaki, Alberto Manganaro, Erinc Merdivan, Alessandra Roncaglioni & Giuseppina Gini. (2016) New clues on carcinogenicity-related substructures derived from mining two large datasets of chemical compounds. Journal of Environmental Science and Health, Part C 34:2, pages 97-113.
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Emilio Benfenati, Serena Manganelli, Sabrina Giordano, Giuseppa Raitano & Alberto Manganaro. (2015) Hierarchical Rules for Read-Across and In Silico Models of Mutagenicity. Journal of Environmental Science and Health, Part C 33:4, pages 385-403.
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G. Gini, A.M. Franchi, A. Manganaro, A. Golbamaki & E. Benfenati. (2014) ToxRead: A tool to assist in read across and its use to assess mutagenicity of chemicals. SAR and QSAR in Environmental Research 25:12, pages 999-1011.
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Articles from other publishers (46)
Michał Wroński, Jakub Trawiński & Robert Skibiński. (2023) Electrochemical Simulation of Phase I Hepatic Metabolism of Voriconazole Using a Screen-Printed Iron(II) Phthalocyanine Electrode. Pharmaceutics 15:11, pages 2586.
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Ting Li, Zhichao Liu, Shraddha Thakkar, Ruth Roberts & Weida Tong. (2023) DeepAmes: A deep learning-powered Ames test predictive model with potential for regulatory application. Regulatory Toxicology and Pharmacology 144, pages 105486.
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Mailys Fournier, Christophe Vroland, Simon Megy, Stéphanie Aguero, Julie‐Anne Chemelle, Brigitte Defoort, Guy Jacob & Raphaël Terreux. (2023)
In silico
Genotoxicity Prediction by Similarity Search and Machine Learning Algorithm: Optimization and Validation of the Method for High Energetic Materials
. Propellants, Explosives, Pyrotechnics 48:4.
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Emilio Benfenati, Gianluca Selvestrel, Anna Lombardo & Davide Luciani. 2023. Current Trends in Computational Modeling for Drug Discovery. Current Trends in Computational Modeling for Drug Discovery
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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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Jakub Trawiński & Robert Skibiński. (2022) Comparative analysis of in vivo and in silico toxicity evaluation of the organoiodine compounds towards D. magna using multivariate chemometric approach: A study on the example of amiodarone phototransformation products. Chemosphere 292, pages 133420.
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Alessandra Roncaglioni, Anna LombardoEmilio Benfenati. (2022) The VEGAHUB Platform: The Philosophy and the Tools. Alternatives to Laboratory Animals 50:2, pages 121-135.
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J.D. Rasinger, F. Frenzel, A. Braeuning, A. Bernhard, R. Ørnsrud, S. Merel & M.H.G. Berntssen. (2022) Use of (Q)SAR genotoxicity predictions and fuzzy multicriteria decision-making for priority ranking of ethoxyquin transformation products. Environment International 158, pages 106875.
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Nupur Vasdev, Mrudul Deshpande, Pratik Katare, Vaishali Makwana, Suryanarayana Polaka, Muktika Tekade, Pinaki Sengupta, Mukesh Chandra Sharma, Dinesh Kumar Mishra & Rakesh Kumar Tekade. 2022. Pharmacokinetics and Toxicokinetic Considerations. Pharmacokinetics and Toxicokinetic Considerations
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Simona Kovarich & Claudia Ileana Cappelli. 2022. In Silico Methods for Predicting Drug Toxicity. In Silico Methods for Predicting Drug Toxicity
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Su-Yong Bae, Jonga Lee, Jaeseong Jeong, Changwon Lim & Jinhee Choi. (2021) Effective data-balancing methods for class-imbalanced genotoxicity datasets using machine learning algorithms and molecular fingerprints. Computational Toxicology 20, pages 100178.
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Yuanqiu Chen, Lianzhou Huang, Xiao Yuan, Feng Luo & Hanlin Pu. (2021) Development and Validation of a UPLC–MS/MS Method for Ultra-Trace Level Determination of Acyl Chloride Potential Genotoxic Impurity in Mezlocillin. Journal of Chromatographic Science.
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Emilio Benfenati, Anna Lombardo, Viktor Drgan, Marjana Novič & Alberto Manganaro. 2021. Chemometrics and Cheminformatics in Aquatic Toxicology. Chemometrics and Cheminformatics in Aquatic Toxicology
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Jakub Trawiński, Paweł Szpot, Marcin Zawadzki & Robert Skibiński. (2021) Photochemical transformation of fentanyl under the simulated solar radiation – Enhancement of the process by heterogeneous photocatalysis and in silico analysis of toxicity. Science of The Total Environment 791, pages 148171.
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Carina Lackmann, Julia Brendt, Thomas-Benjamin Seiler, Alina Hermann, Angela Metz, Pascal M. Schäfer, Sonja Herres-Pawlis & Henner Hollert. (2021) The Green toxicology approach: Insight towards the eco-toxicologically safe development of benign catalysts. Journal of Hazardous Materials 416, pages 125889.
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Robert Skibiński, Jakub Trawiński & Maciej Gawlik. (2021) Characterization of Phase I Hepatic Metabolites of Anti-Premature Ejaculation Drug Dapoxetine by UHPLC-ESI-Q-TOF. Molecules 26:13, pages 3794.
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Enrico Mombelli & Pascal Pandard. (2021) Evaluation of the OECD QSAR toolbox automatic workflow for the prediction of the acute toxicity of organic chemicals to fathead minnow. Regulatory Toxicology and Pharmacology 122, pages 104893.
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Prachi Pradeep, Richard Judson, David M. DeMarini, Nagalakshmi Keshava, Todd M. Martin, Jeffry Dean, Catherine F. Gibbons, Anita Simha, Sarah H. Warren, Maureen R. Gwinn & Grace Patlewicz. (2021) An evaluation of existing QSAR models and structural alerts and development of new ensemble models for genotoxicity using a newly compiled experimental dataset. Computational Toxicology 18, pages 100167.
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Amy Wilson, Piotr Grabowski, Joanne Elloway, Stephanie Ling, Jonathan Stott & Ann Doherty. (2021) Transforming early pharmaceutical assessment of genotoxicity: applying statistical learning to a high throughput, multi end point in vitro micronucleus assay. Scientific Reports 11:1.
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Melissa Van Bossuyt, Giuseppa Raitano, Masamitsu Honma, Els Van Hoeck, Tamara Vanhaecke, Vera Rogiers, Birgit Mertens & Emilio Benfenati. (2020) New QSAR models to predict chromosome damaging potential based on the in vivo micronucleus test. Toxicology Letters 329, pages 80-84.
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Carr J Smith & Thomas A Perfetti. (2020) A comparison of the persistence, toxicity, and exposure to high-volume natural plant-derived and synthetic pesticides. Toxicology Research and Application 4, pages 239784732094056.
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Joonsik Moon, Byongcheun Lee, Jin-Sung Ra & Ki-Tae Kim. (2020) Predicting PBT and CMR properties of substances of very high concern (SVHCs) using QSAR models, and application for K-REACH. Toxicology Reports 7, pages 995-1000.
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Giuseppa Raitano, Alessandra Roncaglioni, Alberto Manganaro, Masamitsu Honma, Laurent Sousselier, Quoc Tuan Do, Eric Paya & Emilio Benfenati. (2019) Integrating in silico models for the prediction of mutagenicity (Ames test) of botanical ingredients of cosmetics. Computational Toxicology 12, pages 100108.
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Emilio Benfenati, Qasim Chaudhry, Giuseppina Gini & Jean Lou Dorne. (2019) Integrating in silico models and read-across methods for predicting toxicity of chemicals: A step-wise strategy. Environment International 131, pages 105060.
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Olga Tcheremenskaia, Chiara Laura Battistelli, Alessandro Giuliani, Romualdo Benigni & Cecilia Bossa. (2019) In silico approaches for prediction of genotoxic and carcinogenic potential of cosmetic ingredients. Computational Toxicology 11, pages 91-100.
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Jakub Trawiński & Robert Skibiński. (2019) Rapid degradation of clozapine by heterogeneous photocatalysis. Comparison with direct photolysis, kinetics, identification of transformation products and scavenger study. Science of The Total Environment 665, pages 557-567.
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Emilio Benfenati, Alessandra Roncaglioni, Anna Lombardo & Alberto Manganaro. 2019. Advances in Computational Toxicology. Advances in Computational Toxicology
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Giuseppa Raitano, Daniele Goi, Valentina Pieri, Alice Passoni, Michele Mattiussi, Anna Lutman, Isabella Romeo, Alberto Manganaro, Marco Marzo, Nicola Porta, Diego Baderna, Andrea Colombo, Eleonora Aneggi, Fabrizio Natolino, Marco Lodi, Renzo Bagnati & Emilio Benfenati. (2018) (Eco)toxicological maps: A new risk assessment method integrating traditional and in silico tools and its application in the Ledra River (Italy). Environment International 119, pages 275-286.
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Jakub Trawiński & Robert Skibiński. (2018) Photolytic and photocatalytic transformation of an antipsychotic drug asenapine: Comparison of kinetics, identification of transformation products, and in silico estimation of their properties. Ecotoxicology and Environmental Safety 162, pages 272-286.
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Dhinesh Kumar Thiyagarajamoorthy, Charli Deepak Arulanandam, Hans-Uwe Dahms, Santhosh Gokul Murugaiah, Muthukumar Krishnan & Arthur James Rathinam. (2018) Marine Bacterial Compounds Evaluated by In Silico Studies as Antipsychotic Drugs Against Schizophrenia. Marine Biotechnology 20:5, pages 639-653.
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Melissa Van Bossuyt, Els Van Hoeck, Giuseppa Raitano, Tamara Vanhaecke, Emilio Benfenati, Birgit Mertens & Vera Rogiers. (2018) Performance of In Silico Models for Mutagenicity Prediction of Food Contact Materials. Toxicological Sciences 163:2, pages 632-638.
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Emilio Benfenati, Anna Lombardo & Alessandra Roncaglioni. 2018. Computational Toxicology. Computational Toxicology
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Cecilia Bossa, Romualdo Benigni, Olga Tcheremenskaia & Chiara Laura Battistelli. 2018. Computational Toxicology. Computational Toxicology
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Steven Hostyn, Peter Persich, Shalu Jhajra & Koen Vanhoutte. 2018. Methods for Stability Testing of Pharmaceuticals. Methods for Stability Testing of Pharmaceuticals
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Jörg D. Wichard. (2017) In silico prediction of genotoxicity. Food and Chemical Toxicology 106, pages 595-599.
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Jakub Trawiński & Robert Skibiński. (2017) Photolytic and photocatalytic degradation of tandospirone: Determination of kinetics, identification of transformation products and in silico estimation of toxicity. Science of The Total Environment 590-591, pages 775-798.
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Matteo Floris, Giuseppa Raitano, Ricardo Medda & Emilio Benfenati. (2017) Fragment Prioritization on a Large Mutagenicity Dataset. Molecular Informatics 36:7, pages 1600133.
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Melissa Van Bossuyt, Els Van Hoeck, Giuseppa Raitano, Serena Manganelli, Els Braeken, Gamze Ates, Tamara Vanhaecke, Sabine Van Miert, Emilio Benfenati, Birgit Mertens & Vera Rogiers. (2017) (Q)SAR tools for priority setting: A case study with printed paper and board food contact material substances. Food and Chemical Toxicology 102, pages 109-119.
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David Faulkner, Leah K. Rubin Shen, Vanessa Y. De La Rosa, Dale E. Johnson, Rachel Hemingway, Richard V. Williams, Philip N. Judson, John Arnold & Chris D. Vulpe. 2017. Computational Systems Pharmacology and Toxicology. Computational Systems Pharmacology and Toxicology
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Jakub Trawiński & Robert Skibiński. (2017) Photolytic and photocatalytic degradation of the antipsychotic agent tiapride: Kinetics, transformation pathways and computational toxicity assessment. Journal of Hazardous Materials 321, pages 841-858.
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Serena Manganelli, Emilio Benfenati, Alberto Manganaro, Sunil Kulkarni, Tara S. Barton-Maclaren & Masamitsu Honma. (2016) New Quantitative Structure–Activity Relationship Models Improve Predictability of Ames Mutagenicity for Aromatic Azo Compounds. Toxicological Sciences 153:2, pages 316-326.
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Monika Batke, Martin G?tlein, Falko Partosch, Ursula Gundert-Remy, Christoph Helma, Stefan Kramer, Andreas Maunz, Madeleine Seeland & Annette Bitsch. (2016) Innovative Strategies to Develop Chemical Categories Using a Combination of Structural and Toxicological Properties. Frontiers in Pharmacology 7.
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Marco Marzo, Sunil Kulkarni, Alberto Manganaro, Alessandra Roncaglioni, Shengde Wu, Tara S. Barton-Maclaren, Cathy Lester & Emilio Benfenati. (2016) Integrating in silico models to enhance predictivity for developmental toxicity. Toxicology 370, pages 127-137.
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Manuela Pavan, Simona Kovarich, Arianna Bassan, Lorenza Broccardo, Chihae Yang & Elena Fioravanzo. 2016. In Silico Methods for Predicting Drug Toxicity. In Silico Methods for Predicting Drug Toxicity
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Maria I. Petoumenou, Fabiola Pizzo, Josep Cester, Alberto Fernández & Emilio Benfenati. (2015) Comparison between bioconcentration factor (BCF) data provided by industry to the European Chemicals Agency (ECHA) and data derived from QSAR models. Environmental Research 142, pages 529-534.
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Fabio Gosetti, Bianca Bolfi & Emilio Marengo. (2015) Identification of sulforhodamine B photodegradation products present in nonpermanent tattoos by micro liquid chromatography coupled with tandem high-resolution mass spectrometry. Analytical and Bioanalytical Chemistry 407:16, pages 4649-4659.
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