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SAR and QSAR in Environmental Research Volume 23, 2012 - Issue 7-8
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Original Articles

The definition of the applicability domain relevant to skin sensitization for the aromatic nucleophilic substitution mechanism

S.J. Enoch School of Pharmacy and Chemistry, Liverpool John Moores University, Liverpool, England
,
T.W. Schultz Department of Comparative Medicine, College of Veterinary Medicine, The University of Tennessee, Knoxville, Tennessee, USA
&
M.T.D. Cronin School of Pharmacy and Chemistry, Liverpool John Moores University, Liverpool, EnglandCorrespondence[email protected]
Pages 649-663 | Received 19 Jan 2012, Accepted 10 Mar 2012, Published online: 30 May 2012

Citations (14)

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Read on this site (3)

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, M.T.D. Cronin & T.W. Schultz. (2013) The definition of the toxicologically relevant applicability domain for the SNAr reaction for substituted pyridines and pyrimidines. SAR and QSAR in Environmental Research 24:5, pages 385-392.
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Articles from other publishers (11)

C. Yang, M.T.D. Cronin, K.B. Arvidson, B. Bienfait, S.J. Enoch, B. Heldreth, B. Hobocienski, K. Muldoon-Jacobs, Y. Lan, J.C. Madden, T. Magdziarz, J. Marusczyk, A. Mostrag, M. Nelms, D. Neagu, K. Przybylak, J.F. Rathman, J. Park, A-N Richarz, A.M. Richard, J.V. Ribeiro, O. Sacher, C. Schwab, V. Vitcheva, P. Volarath & A.P. Worth. (2021) COSMOS next generation – A public knowledge base leveraging chemical and biological data to support the regulatory assessment of chemicals. Computational Toxicology 19, pages 100175.
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James F. Rathman, Chihae Yang & Haojin Zhou. (2018) Dempster-Shafer theory for combining in silico evidence and estimating uncertainty in chemical risk assessment. Computational Toxicology 6, pages 16-31.
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Mark T.D. CroninAndrea-Nicole Richarz. (2017) Relationship Between Adverse Outcome Pathways and Chemistry-Based In Silico Models to Predict Toxicity . Applied In Vitro Toxicology 3:4, pages 286-297.
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Terry W. Schultz & Aynur O. Aptula. (2016) Kinetic-Based Reactivity for Michael Acceptors: Structural Activity Relationships and Its Relationship to Excess Acute Fish Toxicity. Bulletin of Environmental Contamination and Toxicology 97:6, pages 752-756.
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Grace Patlewicz, Andrew P. Worth & Nicholas Ball. 2016. Validation of Alternative Methods for Toxicity Testing. Validation of Alternative Methods for Toxicity Testing 165 187 .
Sandrine Jacquoilleot, David Sheffield, Adedamola Olayanju, Rowena Sison-Young, Neil R Kitteringham, Dean J Naisbitt & Maja Aleksic. (2015) Glutathione metabolism in the HaCaT cell line as a model for the detoxification of the model sensitisers 2,4-dinitrohalobenzenes in human skin. Toxicology Letters 237:1, pages 11-20.
Crossref
M. D. Nelms, G. Ates, J. C. Madden, M. Vinken, M. T. D. Cronin, V. Rogiers & S. J. Enoch. (2014) Proposal of an in silico profiler for categorisation of repeat dose toxicity data of hair dyes. Archives of Toxicology 89:5, pages 733-741.
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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 .
Mark Cronin, Judith Madden, Steven Enoch & David RobertsM. T. D. Cronin. 2013. Chemical Toxicity Prediction. Chemical Toxicity Prediction 1 29 .
S. J. Enoch & D. W. Roberts. (2013) Predicting Skin Sensitization Potency for Michael Acceptors in the LLNA Using Quantum Mechanics Calculations. Chemical Research in Toxicology 26:5, pages 767-774.
Crossref
S J Enoch & D. W. Roberts. 2011. Kinase Drug Discovery. Kinase Drug Discovery 30 43 .

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