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SAR and QSAR in Environmental Research Volume 25, 2014 - Issue 12
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Articles

ToxRead: A tool to assist in read across and its use to assess mutagenicity of chemicalsFootnote

G. GiniDipartimento di Elettronica, Informazione e Bioingegneria, Politecnico di Milano, Milan, Italy
,
A.M. FranchiDipartimento di Elettronica, Informazione e Bioingegneria, Politecnico di Milano, Milan, Italy
,
A. ManganaroDipartimento di Salute e Ambiente, IRCCS – Istituto di Ricerche Farmacologiche ‘Mario Negri’, Milan, Italy
,
A. GolbamakiDipartimento di Salute e Ambiente, IRCCS – Istituto di Ricerche Farmacologiche ‘Mario Negri’, Milan, Italy
&
E. BenfenatiDipartimento di Salute e Ambiente, IRCCS – Istituto di Ricerche Farmacologiche ‘Mario Negri’, Milan, ItalyCorrespondence[email protected]
Pages 999-1011 | Received 05 Aug 2014, Accepted 15 Sep 2014, Published online: 15 Dec 2014

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Yusuf Oloruntoyin Ayipo, Waleed A. Alananzeh, Iqrar Ahmad, Harun Patel & Mohd Nizam Mordi. (2023) Structural modelling and in silico pharmacology of β-carboline alkaloids as potent 5-HT1A receptor antagonists and reuptake inhibitors. Journal of Biomolecular Structure and Dynamics 41:13, pages 6219-6235.
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Yusuf Oloruntoyin Ayipo, Iqrar Ahmad, Yahaya Sani Najib, Sikirat Kehinde Sheu, Harun Patel & Mohd Nizam Mordi. (2023) Molecular modelling and structure-activity relationship of a natural derivative of o-hydroxybenzoate as a potent inhibitor of dual NSP3 and NSP12 of SARS-CoV-2: in silico study. Journal of Biomolecular Structure and Dynamics 41:5, pages 1959-1977.
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Sang Hee Lee, Jongwoon Kim, Jinyong Kim, Jaehyun Park, Sanghee Park, Kyu-Bong Kim, Byung-Mu Lee & Seok Kwon. (2022) Current trends in read-across applications for chemical risk assessments and chemical registrations in the Republic of Korea. Journal of Toxicology and Environmental Health, Part B 25:8, pages 393-404.
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Gulcin Tugcu, Mohammad Charehsaz & Ahmet Aydın. (2021) Toxicological evaluation of ergocalciferol, cholecalciferol, and their metabolites by a category approach. Drug and Chemical Toxicology 44:6, pages 661-667.
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Domenico Gadaleta & Emilio Benfenati. (2021) A descriptor-based analysis to highlight the mechanistic rationale of mutagenicity. Journal of Environmental Science and Health, Part C 39:3, pages 269-292.
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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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P. Kamath, G. Raitano, A. Fernández, R. Rallo & E. Benfenati. (2015) In silico exploratory study using structure–activity relationship models and metabolic information for prediction of mutagenicity based on the Ames test and rodent micronucleus assay. SAR and QSAR in Environmental Research 26:12, pages 1017-1031.
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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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M. Vračko & S. Bobst. (2015) Prediction of mutagenicity and carcinogenicity using in silico modelling: A case study of polychlorinated biphenyls. SAR and QSAR in Environmental Research 26:7-9, pages 667-682.
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E. Benfenati, A. Roncaglioni, M.I. Petoumenou, C.I. Cappelli & G. Gini. (2015) Integrating QSAR and read-across for environmental assessment. SAR and QSAR in Environmental Research 26:7-9, pages 605-618.
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