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Original Articles

Discriminating toxicant classes by mode of action: 3. Substructure indicatorsFootnote§

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Pages 155-168 | Received 11 May 2006, Accepted 25 Aug 2006, Published online: 04 Dec 2010

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Y. Y. Ren, L. C. Zhou, L. Yang, P. Y. Liu, B. W. Zhao & H. X. Liu. (2016) Predicting the aquatic toxicity mode of action using logistic regression and linear discriminant analysis. SAR and QSAR in Environmental Research 27:9, pages 721-746.
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M. Nendza, M. Müller & A. Wenzel. (2014) Discriminating toxicant classes by mode of action: 4. Baseline and excess toxicity. SAR and QSAR in Environmental Research 25:5, pages 393-405.
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A.N. Richarz, T.W. Schultz, M.T.D. Cronin & S.J. Enoch. (2014) Experimental verification of structural alerts for the protein binding of sulfur-containing compounds. SAR and QSAR in Environmental Research 25:4, pages 325-341.
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M.D. Nelms, M.T.D. Cronin, T.W. Schultz & S.J. Enoch. (2013) Experimental verification, and domain definition, of structural alerts for protein binding: epoxides, lactones, nitroso, nitros, aldehydes and ketones. SAR and QSAR in Environmental Research 24:9, pages 695-709.
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S. J. Enoch, C. M. Ellison, T. W. Schultz & M. T. D. Cronin. (2011) A review of the electrophilic reaction chemistry involved in covalent protein binding relevant to toxicity. Critical Reviews in Toxicology 41:9, pages 783-802.
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P. C. Von Der Ohe, R. Kühne, R. U. Ebert & G. Schüürmann. (2007) Comment on “Discriminating toxicant classes by mode of action: 3. Substructure indicators” (M. Nendza and M. Müller, SAR QSAR Environ. Res. 18 155 (2007)). SAR and QSAR in Environmental Research 18:7-8, pages 621-624.
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Faith N. Lambert, Deborah N. Vivian, Sandy Raimondo, Caroline T. Tebes-Stevens & Mace G. Barron. (2022) Relationships Between Aquatic Toxicity, Chemical Hydrophobicity, and Mode of Action: Log Kow Revisited. Archives of Environmental Contamination and Toxicology 83:4, pages 326-338.
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Oleg Tinkov, Pavel Polishchuk, Mariia Matveieva, Veniamin Grigorev, Ludmila Grigoreva & Yuri Porozov. (2020) The Influence of Structural Patterns on Acute Aquatic Toxicity of Organic Compounds. Molecular Informatics 40:9, pages 2000209.
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Serge Bakire, Xinya Yang, Guangcai Ma, Xiaoxuan Wei, Haiying Yu, Jianrong Chen & Hongjun Lin. (2018) Developing predictive models for toxicity of organic chemicals to green algae based on mode of action. Chemosphere 190, pages 463-470.
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Monika Nendza, Martin Müller & Andrea Wenzel. (2017) Classification of baseline toxicants for QSAR predictions to replace fish acute toxicity studies. Environmental Science: Processes & Impacts 19:3, pages 429-437.
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John F. Carriger, Todd M. Martin & Mace G. Barron. (2016) A Bayesian network model for predicting aquatic toxicity mode of action using two dimensional theoretical molecular descriptors. Aquatic Toxicology 180, pages 11-24.
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Felichesmi Selestini Lyakurwa, Xianhai Yang, Xuehua Li, Xianliang Qiao & Jingwen Chen. (2014) Development of in silico models for predicting LSER molecular parameters and for acute toxicity prediction to fathead minnow (Pimephales promelas). Chemosphere 108, pages 17-25.
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Peng Zhang, Jianqin Lu, Yixian Huang, Wenchen Zhao, Yifei Zhang, Xiaolan Zhang, Jiang Li, Raman Venkataramanan, Xiang Gao & Song Li. (2013) Design and Evaluation of a PEGylated Lipopeptide Equipped with Drug-Interactive Motifs as an Improved Drug Carrier. The AAPS Journal 16:1, pages 114-124.
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Mark Cronin, Judith Madden, Steven Enoch & David RobertsS J Enoch & D. W. Roberts. 2013. Chemical Toxicity Prediction. Chemical Toxicity Prediction 30 43 .
Ralph Kühne, Ralf-Uwe Ebert, Peter C. von der Ohe, Nadin Ulrich, Werner Brack & Gerrit Schüürmann. (2013) Read-Across Prediction of the Acute Toxicity of Organic Compounds toward the Water Flea Daphnia magna . Molecular Informatics 32:1, pages 108-120.
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S J Enoch & D. W. Roberts. 2011. Kinase Drug Discovery. Kinase Drug Discovery 30 43 .
Yana K. Koleva, Judith C. Madden & Mark T. D. Cronin. (2008) Formation of Categories from Structure−Activity Relationships To Allow Read-Across for Risk Assessment: Toxicity of α,β-Unsaturated Carbonyl Compounds. Chemical Research in Toxicology 21:12, pages 2300-2312.
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S.J. Enoch, M. Hewitt, M.T.D. Cronin, S. Azam & J.C. Madden. (2008) Classification of chemicals according to mechanism of aquatic toxicity: An evaluation of the implementation of the Verhaar scheme in Toxtree. Chemosphere 73:3, pages 243-248.
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Tatiana I. Netzeva, Manuela Pavan & Andrew P. Worth. (2008) Review of (Quantitative) Structure–Activity Relationships for Acute Aquatic Toxicity. QSAR & Combinatorial Science 27:1, pages 77-90.
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