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SAR and QSAR in Environmental Research Volume 21, 2010 - Issue 3-4
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Original Articles

Prediction of acute toxicity to mice by the Arithmetic Mean Toxicity (AMT) modelling approach

O.A. Raevsky Department of Computer-Aided Molecular Design, Institute of Physiologically Active Compounds of Russian Academy of Sciences, Chernogolovka, Moscow Region, RussiaCorrespondence[email protected]
,
V.Ju. Grigor’ev Department of Computer-Aided Molecular Design, Institute of Physiologically Active Compounds of Russian Academy of Sciences, Chernogolovka, Moscow Region, Russia
,
E.A. Modina Department of Computer-Aided Molecular Design, Institute of Physiologically Active Compounds of Russian Academy of Sciences, Chernogolovka, Moscow Region, Russia
&
A.P. Worth Institute for Health and Consumer Protection, European Commission - Joint Research Centre, Ispra (Va), Italy
Pages 265-275 | Received 09 Nov 2009, Accepted 21 Feb 2010, Published online: 08 Jun 2010

Citations (18)

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O. A. Raevsky, V. Y. Grigorev, D. E. Polianczyk, O. E. Raevskaja & J. C. Dearden. (2017) Six global and local QSPR models of aqueous solubility at pH = 7.4 based on structural similarity and physicochemical descriptors. SAR and QSAR in Environmental Research 28:8, pages 661-676.
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Articles from other publishers (17)

Craig M. Zwickl, Jessica C. Graham, Robert A. Jolly, Arianna Bassan, Ernst Ahlberg, Alexander Amberg, Lennart T. Anger, Lisa Beilke, Phillip Bellion, Alessandro Brigo, Heather Burleigh-Flayer, Mark T.D. Cronin, Amy A. Devlin, Trevor Fish, Susanne Glowienke, Kamila Gromek, Agnes L. Karmaus, Ray Kemper, Sunil Kulkarni, Elena Lo Piparo, Federica Madia, Matthew Martin, Melisa Masuda-Herrera, Britt L. McAtee, Jordi Mestres, Lawrence Milchak, Chandrika Moudgal, Moiz Mumtaz, Wolfgang Muster, Louise Neilson, Grace Patlewicz, Alexandre Paulino, Alessandra Roncaglioni, Patricia Ruiz, David T. Szabo, Jean-Pierre Valentin, Ioanna Vardakou, David Woolley & Glenn J. Myatt. (2022) Principles and procedures for assessment of acute toxicity incorporating in silico methods. Computational Toxicology 24, pages 100237.
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Ivanka Tsakovska, Antonia Diukendjieva & Andrew P. Worth. 2022. In Silico Methods for Predicting Drug Toxicity. In Silico Methods for Predicting Drug Toxicity 259 289 .
George Helman, Imran Shah & Grace Patlewicz. (2019) Transitioning the generalised read-across approach (GenRA) to quantitative predictions: A case study using acute oral toxicity data. Computational Toxicology 12, pages 100097.
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Oleg A. Raevsky, Veniamin Y. Grigorev, Daniel E. Polianczyk, Olga E. Raevskaja & John C. Dearden. (2019) Aqueous Drug Solubility: What Do We Measure, Calculate and QSPR Predict?. Mini-Reviews in Medicinal Chemistry 19:5, pages 362-372.
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O.V. Tinkov, V.Yu. Grigorev, P.G. Polishchuk, A.V. Yarkov & O.A. Raevsky. (2019) QSAR investigation of acute toxicity of organic compounds during oral administration to mice. Biomeditsinskaya Khimiya 65:2, pages 123-132.
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O.A. Raevsky, V.Yu. Grigorev, A.V. Yarkov & O.V. Tinkov. (2018) QSAR Modeling Of Mammal Acute Toxicity By Oral Exposure. Biomedical Chemistry: Research and Methods 1:3, pages e00066.
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Tailong Lei, Youyong Li, Yunlong Song, Dan Li, Huiyong Sun & Tingjun Hou. (2016) ADMET evaluation in drug discovery: 15. Accurate prediction of rat oral acute toxicity using relevance vector machine and consensus modeling. Journal of Cheminformatics 8:1.
Crossref
Julien Burton, Andrew P. Worth, Ivanka Tsakovska & Antonia Diukendjieva. 2016. In Silico Methods for Predicting Drug Toxicity. In Silico Methods for Predicting Drug Toxicity 177 200 .
Oleg A. Raevsky, Daniel E. Polianczyk, Veniamin Yu. Grigorev, Olga E. Raevskaja & John C. Dearden. (2015) In silico Prediction of Aqueous Solubility: a Comparative Study of Local and Global Predictive Models. Molecular Informatics 34:6-7, pages 417-430.
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Yu Wang, Zhong H. Ning, Hong W. Tai, Shuang Long, Wei C. Qin, Li M. Su & Yuan H. Zhao. (2015) Relationship between lethal toxicity in oral administration and injection to mice: Effect of exposure routes. Regulatory Toxicology and Pharmacology 71:2, pages 205-212.
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O. A. Raevsky, S. V. Trepalin, V. Yu. Grigor’ev, S. L. Solodova, A. V. Yarkov & O. E. Raevskaya. (2014) Computer Calculation of Drug Penetration Through the Blood–Brain Barrier. Pharmaceutical Chemistry Journal 48:1, pages 26-28.
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Oleg A. Raevsky, Veniamin Yu. Grigor’ev, Daniel E. Polianczyk, Olga E. Raevskaja & John C. Dearden. (2014) Calculation of Aqueous Solubility of Crystalline Un-Ionized Organic Chemicals and Drugs Based on Structural Similarity and Physicochemical Descriptors. Journal of Chemical Information and Modeling 54:2, pages 683-691.
Crossref
Mark Cronin, Judith Madden, Steven Enoch & David RobertsM. T. D. Cronin. 2013. Chemical Toxicity Prediction. Chemical Toxicity Prediction 1 29 .
Mihai Putz & Nicoleta Dudaş. (2013) Determining Chemical Reactivity Driving Biological Activity from SMILES Transformations: The Bonding Mechanism of Anti-HIV Pyrimidines. Molecules 18:8, pages 9061-9116.
Crossref
O.A. Raevsky, S.L. Solodova, O.E. Raevskaya, Y.V. Liplavskiy & R.M. Mannhold. (2012) Computer classification models on the relationship between chemical structures of compounds and drugs with their blood brain barrier penetration. Biomeditsinskaya Khimiya 58:3, pages 246-256.
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O. A. Raevsky, S. L. Solodova, O. E. Raevskaya, Y. V. Liplavskiy & R. Mannhold. (2012) The computer classification models on the relationship between chemical structures of compounds and drugs with their blood brain barrier penetration ability. Biochemistry (Moscow) Supplement Series B: Biomedical Chemistry 6:1, pages 31-38.
Crossref
Yana K. Koleva, Mark T.D. Cronin, Judith C. Madden & Johannes A.H. Schwöbel. (2011) Modelling acute oral mammalian toxicity. 1. Definition of a quantifiable baseline effect. Toxicology in Vitro 25:7, pages 1281-1293.
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