Chapters

Enoch S, Nahar L, Sarker S. 2024. Predictive toxicology of phytochemicals Sarker S, Nahar L. Computational Phytochemistry :439-464 Elsevier

Cronin M, Madden J, Enoch S. 2013. Preface 9781849733847 DOI Publisher Url

Enoch SJ. 2010. The Use of Frontier Molecular Orbital Calculations in Predictive Toxicology Cronin M, Madden J. In Silico Toxicology Not Avail 9781849730044

Enoch SJ. 2009. The Use of Quantum Mechanics Derived Descriptors in Computational Toxicology Puzyn T, Leszczynski J, Cronin MTD. Recent Advances in QSAR Studies Springer Verlag 9781402097829 DOI Publisher Url

Enoch SJ. 2009. Chemical Category Formation and Read-Across for the Prediction of Toxicity Puzyn T, Leszczynski J, Cronin MTD. Recent Advances in QSAR Studies Springer Verlag 9781402097829 DOI Publisher Url

Cronin MTD, Enoch SJ, Madden JC. 2007. Quantitative Structure-Activity Relationships for Skin Corrosivity and Sensitisation Roberts MS, Walters KA. Dermal absorption and toxicity assessment Informa HealthCare 9780849375910

Conference publication

Cronin M, Belfield S, Chavan S, Enoch S, Firman J, Luijten M, Madden J, Marx-Stoelting P, Pradeep P, Steinbach A-M, Wilenbockel C-T, Zgheib E. 2023. Making Quantitative AOP Networks into Usable Tools for Risk Assessment Toxicology Letters, Eurotox 2023 :S48-S48

Cronin MT, Firman JW, Ebbrell D, Enoch SJ, Madden JC, Rathman JF, Yang C. 2021. Developing and Assessing In Silico Profilers for Organ-Level Toxicity Using Non-Standard Data TOXICOLOGY LETTERS, 56th Congress of the European-Societies-of-Toxicology (EUROTOX) - Toxicology of the Next Generation 350 :S49-S49 Author Url

Spinu N, Cronin M, Laio J, Enoch S, Madden J, Lagares LM, Novic M, Worth A. 2021. Probabilistic modelling of an adverse outcome pathway network for developmental neurotoxicity Altex Proceedings, 11th World Congress on Alternatives and Animal Use in the Life Sciences 9 :154-155

Cronin MT, Benfenati E, Carnesecchi E, Ceriani L, Dorne J-L, Enoch SJ, Fioravanzo E, Gatnik MF, Kim J, Kovarich S, Livaniou A, Madden JC, Marusczyk J, Mostrag-Szlichtyng A, Tarkhov A, Rathman JF, Satori L, Schwab C, Worth AP, Yang C. 2019. A case study to leverage public resources to improve in silico chemical safety assessment TOXICOLOGY LETTERS, 55th Congress of the European-Societies-of-Toxicology (EUROTOX) - Toxicology - Science Providing Solutions 314 :S280-S280 Author Url

Cronin MTD, Bienfait B, Ebbrell DJ, Enoch SJ, Firman JW, Madden JC, Mostrag-Szlichtyng A, Rathman JF, Vitcheva V, Yang C. 2018. An extended mechanistically-based in silico profiler for liver toxicity TOXICOLOGY LETTERS, 54th Congress of the European-Societies-of-Toxicology (EUROTOX) - Toxicology Out of the Box 295 :S101-S101 DOI Author Url Publisher Url

Pletz J, Ebbrell DJ, Enoch SJ, Firman JW, Madden JC, Webb SD, Cronin MTD. 2018. Development of a Robust In Silico Profiler to Screen for Nephrotoxicity Endpoints TOXICOLOGY LETTERS, 54th Congress of the European-Societies-of-Toxicology (EUROTOX) - Toxicology Out of the Box 295 :S97-S97 DOI Author Url Publisher Url

Mellor CL, Ellison CM, Enoch SJ, Jais DM, Madden JC, Soares S, Tagliati CA, Cronin MT. 2016. Assessment of in silico approaches to predict adverse effects to the kidney and bladder TOXICOLOGY LETTERS, 52nd Congress of the European-Societies-of-Toxicology (EUROTOX) 258 :S117-S117 DOI Author Url Publisher Url

Richarz AN, Enoch SJ, Fioravanzo E, Kovarich S, Madden JC, Mellor C, Mostrag-Szlichtyng A, Palczewska A, Przybylak K, Steinmetz F, Tsakovska I, Yang C, Cronin MTD. 2015. Chemical and mechanistic similarity based assessment of the cosmetics space supporting the evaluation of cosmetics-related substances. Toxicology Letters 238 Suppl S170, 51st Congress of the European Societies of Toxicology (Eurotox) DOI Author Url Publisher Url

Steinmetz FP, Ebbrell DJ, Enoch SJ, Madden JC, Nelms M, Cronin MTD. 2015. Developing read-across for toxicity prediction within an AOP framework to support the transition from the analogue approach to local QSARs Toxicology Letters 238 Suppl S166, 51st Congress of the European Societies of Toxicology (Eurotox) DOI Author Url Publisher Url

RICHARZ , Alov P, enoch , Kovarich S, Lan Y, Meinl T, mellor , neagu D, Paini A, Palczewska A, Sala Benito JV, Steinmetz , CRONIN . 2015. In silico chemistry-based workflows to facilitate ADMET prediction for cosmetics-related substances 51st Congress of the European Societies of Toxicology DOI Author Url Publisher Url

Madden JC, Hewitt M, Enoch S, Piechota P, Cronin M. 2013. Modelling local and systemic toxicity: Incorporation of in silico predictions 18th European Congress on Alternatives to Animal Testing

Cronin MT, Enoch SJ, Hewitt M, Madden JC, Nelms M, Richarz AN. 2013. Improved In Silico Methods to Group Liver Toxicants Related to Adverse Outcome Pathways The Toxicologist – A Supplement to Toxicological Sciences 132: 189, Society of Toxicology 52nd Annual Meeting

Rathman J, Yang C, Arvidson K, Cronin MT, Enoch SJ, Hristozov H, Lan Y, Madden JC, Richarz AN, Ridley M, Sacher O, Schwab C, Yang L. 2013. Development of a COSMOS Database to Support In Silico Modelling for Cosmetics Ingredients and Related Chemicals The Toxicologist – A Supplement to Toxicological Sciences 132: 189, Society of Toxicology 52nd Annual Meeting

Cronin MTD, Enoch SJ, Nelms MD, Madden JC, Richarz A-N, Yang C. 2013. Linking Chemical Categories to Adverse Outcome Pathways for Chronic Toxicity INTERNATIONAL JOURNAL OF TOXICOLOGY, 33rd Annual Meeting of the American-College-of-Toxicology 32 :65-65 Author Url

Roberts D, Enoch SJ, Seed M, Stocks J, Agius R, Cronin MTD. 2012. Category formation for respiratory sensitisation TOXICOLOGY LETTERS, 211 :S6-S6 DOI Author Url Publisher Url

Journal article

Enoch SJ, Hasarova Z, Cronin MTD, Bridgwood K, Rao S, Kluxen FM, Frericks M. 2023. Metabolism-based category formation for the prioritisation of genotoxicity hazard assessment for plant protection product residues (part III): Strobilurins. Regulatory Toxicology and Pharmacology, DOI Author Url Publisher Url Public Url

Belfield SJ, Cronin MTD, Enoch SJ, Firman JW. 2023. Guidance for good practice in the application of machine learning in development of toxicological quantitative structure-activity relationships (QSARs) Tayara H. PLOS ONE, 18 DOI Author Url Publisher Url Public Url

Yang C, Rathman JF, Bienfait B, Burbank M, Detroyer A, Enoch SJ, Firman JW, Gutsell S, Hewitt NJ, Hobocienski B, Mostrag-Szlichtyng A, Krueger CT, Lester C, Mahoney C, Najjar A, Ouédraogo G, Przybylak KR, Ribeiro JF, Cronin M. 2023. The role of a molecular informatics platform to support next generation risk assessment Computational Toxicology, 26 DOI Publisher Url Public Url

Cronin M, Belfield SJ, Briggs K, Enoch SJ, Firman JW, Frericks M, Garrard C, MacCallum P, Madden JC, Pastor M, Sanz F, Soininen I, Sousoni D. 2023. Making in silico predictive models for toxicology FAIR Regulatory Toxicology and Pharmacology, 140 DOI Author Url Publisher Url Public Url

Belfield SJ, Firman JW, Enoch SJ, Madden JC, Erik Tollefsen K, Cronin MTD. 2022. A Review of Quantitative Structure-Activity Relationship Modelling Approaches to Predict the Toxicity of Mixtures Computational Toxicology, :100251-100251 DOI Publisher Url Public Url

Enoch SJ, Hasarova Z, Cronin MTD, Frericks M. 2022. Sub-structure-based category formation for the prioritisation of genotoxicity hazard assessment for pesticide residues (part 2): Triazoles. Regulatory Toxicology and Pharmacology, 134 DOI Author Url Publisher Url Public Url

Pestana C, Enoch SJ, Firman JW, Madden JC, Spinu N, Cronin MTD. 2022. A Strategy to Define Applicability Domains for Read-Across Computational Toxicology, 22 DOI Publisher Url Public Url

Enoch SJ, Hasarova Z, Cronin MTD, Bridgwood K, Rao S, Kluxen F, Frericks M. 2022. Sub-structure-based category formation for the prioritisation of genotoxicity hazard assessment for pesticide residues: Sulphonyl ureas Regulatory Toxicology and Pharmacology, 129 DOI Author Url Publisher Url Public Url

Cronin MTD, Enoch SJ, Madden JC, Rathman JF, Richarz AN, Yang C. 2022. A Review of In Silico Toxicology Approaches to Support the Safety Assessment of Cosmetics-Related Materials Computational Toxicology, 21 DOI Publisher Url Public Url

Yang C, Cronin MTD, Arvidson K, Bienfait B, Enoch SJ, Heldreth B, Hobocienski B, Muldoon-Jacobs K, Lan Y, Madden JC, Magdziarz T, Marusczyk J, Mostrag A, Nelms MD, Przybylak KR, Rathman JF, Richarz A-N, Richard AM, Ribeiro JV, Sacher O, Schwab C, Vitcheva P, Volarath P, Worth AP. 2021. COSMOS Next Generation – a public knowledge base leveraging chemical and biological data to support the regulatory assessment of chemicals Computational Toxicology, 19 DOI Author Url Publisher Url Public Url

Belfield SJ, Enoch SJ, Firman JW, Madden JC, Schultz TW, Cronin MTD. 2021. Determination of “Fitness-for-Purpose” of Quantitative Structure-Activity Relationship (QSAR) Models to Predict (Eco-)Toxicological Endpoints for Regulatory Use Regulatory Toxicology and Pharmacology, 123 DOI Author Url Publisher Url Public Url

Zarnecka J, Lukac I, Messham SJ, Hussin A, Coppola F, Enoch SJ, Dossetter AG, Griffen EJ, Leach AG. 2021. Mapping Ligand-Shape Space for Protein-Ligand Systems: Distinguishing Key-in-Lock and Hand-in-Glove Proteins JOURNAL OF CHEMICAL INFORMATION AND MODELING, 61 :1859-1874 DOI Author Url Publisher Url

Madden JC, Enoch SJ, Paini A, Cronin MTD. 2020. A Review of In Silico Tools as Alternatives to Animal Testing: Principles, Resources and Applications Alternatives to Laboratory Animals, DOI Author Url Publisher Url Public Url

Masinja W, Elliott C, Modi S, Enoch SJ, Cronin MTD, McInnes EF, Currie RA. 2020. Comparison of the predictive nature of the genomic allergen rapid detection (GARD) assay with mammalian assays in determining the skin sensitisation potential of agrochemical active ingredients. Toxicology In Vitro, DOI Author Url Publisher Url Public Url

Spinu N, Cronin MTD, Enoch SJ, Madden JC, Worth A. 2020. Quantitative Adverse Outcome Pathway (qAOP) models for toxicity prediction Archives of Toxicology, 94 :1497-1510 DOI Author Url Publisher Url Public Url

Ebbrell DJ, Madden JC, Cronin MTD, Schultz T, Enoch SJ. 2019. Development of a fragment-based in silico profiler for SN2 thiol reactivity and its application in predicting toxicity of chemicals towards Tetrahymena pyriformis Computational Toxicology, 13 DOI Publisher Url Public Url

Spinu N, Bal-Price A, Cronin MTD, Enoch SJ, Madden JC, Worth A. 2019. Development and Analysis of an Adverse Outcome Pathway Network for Human Neurotoxicity Archives of Toxicology, 93 :2759-2772 DOI Author Url Publisher Url Public Url

Kelly R, Leedale J, Calleja D, Enoch S, Harrell A, Chadwick A, Webb S. 2019. Modelling changes in glutathione homeostasis as a function of quinone redox metabolism Scientific Reports, 9 DOI Author Url Publisher Url Public Url

Mellor CL, Marchese Robinson RL, Benigni R, Ebbrell DJ, Enoch SJ, Firman JW, Madden JC, Pawar G, Yang C, Cronin MTD. 2018. Molecular Fingerprint-Derived Similarity Measures for Toxicological Read-Across: Recommendations for Optimal Use Regulatory Toxicology and Pharmacology, 101 :121-134 DOI Author Url Publisher Url Public Url

Pletz J, Enoch SJ, Jais DM, Mellor CL, Pawar G, Madden JC, Webb SD, Tagliati C, Cronin MTD. 2018. A Critical Review of Adverse Effects to the Kidney: Mechanisms, Data Sources and In Silico Tools to Assist Prediction Expert Opinion on Drug Metabolism and Toxicology, DOI Author Url Publisher Url Public Url

Nelms M, Mellor C, Enoch SJ, Judson R, Patlewicz G, Richard A, Madden JC, Cronin MTD, Edwards S. 2018. A Mechanistic Framework for Integrating Chemical Structure and High-Throughput Screening Results to Improve Toxicity Predictions Computational Toxicology, 8 DOI Author Url Publisher Url Public Url

Enoch SJ, Schultz T, Popova I, Vasilev K, Mekenyan O. 2018. Development of a decision tree for mitochondrial dysfunction: Uncoupling of oxidative phosphorylation Chemical Research in Toxicology, DOI Author Url Publisher Url Public Url

Lukac I, Zarnecka J, Griffen EJ, Dossetter AG, St-Gallay SA, Enoch SJ, Madden JC, Leach AG. 2017. Turbocharging Matched Molecular Pair Analysis: Optimizing the Identification and Analysis of Pairs. Journal of Chemical Information Modeling, DOI Author Url Publisher Url Public Url

Sullivan K, Enoch SJ, Ezendam J, Sewald K, Roggen EL, Cochrane S. 2017. An Adverse Outcome Pathway for Sensitization of the Respiratory Tract by Low-Molecular-Weight Chemicals: Building Evidence to Support the Utility of In Vitro and In Silico Methods in a Regulatory Context In Vitro & Molecular Toxicology: A Journal of Basic and Applied Research, 3 DOI Publisher Url Public Url

Yang C, Barlow SM, Muldoon Jacobs KL, Vitcheva V, Boobis AR, Felter SP, Arvidson KB, Keller D, Cronin MTD, Enoch SJ, Worth A, Hollnagel HM. 2017. Thresholds of Toxicological Concern for Cosmetics-Related Substances: New Database, Thresholds, and Enrichment of Chemical Space Food and Chemical Toxicology, 109 :170-193 DOI Author Url Publisher Url Public Url

Cronin MTD, Enoch SJ, Mellor CL, Przybylak KR, Richarz AN, Madden JC. 2017. In Silico Prediction of Organ Level Toxicity: Linking Chemistry to Adverse Effects Toxicological Research, 33 :173-182 DOI Author Url Publisher Url Public Url

Madden JC, Webb SD, Enoch SJ, Colley H, Murdoch C, Shipley R, Sharma P, Yang C, Cronin MTD. 2017. In silico prediction of skin metabolism and its implication in toxicity assessment Computational Toxicology, DOI Publisher Url Public Url

Ebbrell DJ, Madden JC, Cronin MTD, Schultz TW, Enoch SJ. 2017. Validation of a fragment-based profiler for thiol reactivity for the prediction of toxicity: skin sensitisation and tetrahymena pyriformis Chemical Research in Toxicology, 30 :604-613 DOI Author Url Publisher Url Public Url

Enoch SJ. 2016. Developing a framework for assessing respiratory sensitization: A workshop report REGULATORY TOXICOLOGY AND PHARMACOLOGY, DOI Publisher Url Public Url

Ebbrell DJ, Madden JC, Cronin MTD, Schultz TW, Enoch SJ. 2016. Development of a Fragment-Based in Silico Profiler for Michael Addition Thiol Reactivity Chemical Research in Toxicology, 29 :1073-1081 DOI Author Url Publisher Url Public Url

Ellison CM, Piechota P, Madden JC, Enoch SJ, Cronin MTD. 2016. Adverse Outcome Pathway (AOP) Informed Modeling of Aquatic Toxicology: QSARs, Read-Across, and Interspecies Verification of Modes of Action. Environmental Science & Technology, 50 :3995-4007 DOI Author Url Publisher Url Public Url

Enoch SJ. 2015. Mechanism-based QSAR modeling of skin sensitization Chemical Research in Toxicology, 28 :1975-1986 DOI Author Url Publisher Url Public Url

Seed M, Enoch SJ, Agius R. 2015. Chemical determinants of occupational hypersensitivity pneumonitis Occupational Medicine, 65 :673-681 DOI Author Url Publisher Url Public Url

Enoch SJ. 2015. The development of an in silico profiler for mitochondrial toxicity Chemical Research in Toxicology, 28 :1891-1902 DOI Author Url Publisher Url Public Url

Ellison CM, Madden JC, Cronin MTD, Enoch SJ. 2015. Investigation of the Verhaar scheme for predicting acute aquatic toxicity: improving predictions obtained from Toxtree ver. 2.6 Chemosphere, 139 :146-154 DOI Author Url Publisher Url Public Url

Nelms MD, Madden JC, Cronin MTD, Enoch SJ, Ates G, Vinken M, Rogiers V. 2015. Proposal of an in silico profiler for categorisation of repeat dose toxicity data of hair dyes Archives of Toxicology, 89 :733-741 DOI Author Url Publisher Url Public Url

Enoch SJ, Roberts DW, Madden JC, Cronin MTD. 2014. Development of an In Silico Profiler for Respiratory Sensitisation Alternatives to the Laboratory Animals, 42 :367-375 DOI Author Url Publisher Url Public Url

Steinmetz FP, Enoch SJ, Madden JC, Nelms MD, Rodriguez-Sanchez N, Rowe PH, Wen Y, Cronin MTD. 2014. Methods for assigning confidence to toxicity data with multiple values Identifying experimental outliers SCIENCE OF THE TOTAL ENVIRONMENT, 482 :358-365 DOI Author Url Publisher Url

Richarz AN, Schultz TW, Cronin MTD, Enoch SJ. 2014. Experimental verification of structural alerts for the protein binding of sulfur-containing compounds SAR AND QSAR IN ENVIRONMENTAL RESEARCH, 25 :325-341 DOI Author Url Publisher Url

Lubinski L, Urbaszek P, Gajewicz A, Cronin MTD, Enoch SJ, Madden JC, Leszczynska D, Leszczynski J, Puzyn T. 2013. Evaluation criteria for the quality of published experimental data on nanomaterials and their usefulness for QSAR modelling SAR and QSAR in Environmental Research, 24 :995-1008 DOI Author Url Publisher Url

Rodriguez-Sanchez N, Schultz TW, Cronin MTD, Enoch SJ. 2013. Experimental verification of structural alerts for the protein binding of cyclic compounds acting as Michael acceptors SAR and QSAR in Environmental Research, 24 :963-977 DOI

Nelms MD, Cronin MTD, Schultz TW, Enoch SJ. 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 :695-709 DOI

Enoch SJ, Roberts DW. 2013. Predicting skin sensitization potency for Michael acceptors in the LLNA using quantum mechanics calculations. Chem Res Toxicol, 26 :767-774 DOI Author Url Publisher Url

Enoch SJ, Cronin MTD, Schultz TW. 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 :651-658 DOI

Yang L, Neagu D, Cronin MTD, Hewitt M, Enoch SJ, Madden JC, Przybylak K. 2013. Towards a fuzzy expert system on toxicological data quality assessment Molecular Informatics, 32 :65-78 DOI Author Url Publisher Url

Nelms MD, Cronin MTD, Enoch SJ, Schultz TW. 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, DOI Author Url Publisher Url

Rodriguez-Sanchez N, Cronin MTD, Enoch SJ, Schultz TW. 2013. Experimental verification of structural alerts for the protein binding of cyclic compounds acting as Michael acceptors SAR and QSAR in Environmental Research, DOI Author Url Publisher Url

Enoch SJ, Seed MJ, Roberts DW, Cronin MTD, Stocks SJ, Agius RM. 2012. Development of mechanism-based structural alerts for respiratory sensitization hazard identification. Chem Res Toxicol, 25 :2490-2498 DOI Author Url Publisher Url

Enoch SJ, Schultz TW, Cronin MTD. 2012. The definition of the applicability domain relevant to skin sensitization for the aromatic nucleophilic substitution mechanism. SAR QSAR Environ Res, 23 :649-663 DOI Author Url Publisher Url

Enoch SJ, Cronin MTD. 2012. Development of new structural alerts suitable for chemical category formation for assigning covalent and non-covalent mechanisms relevant to DNA binding. Mutat Res, 743 :10-19 DOI Author Url Publisher Url

Ellison CM, Enoch SJ, Cronin MTD. 2011. A review of the use of in silico methods to predict the chemistry of molecular initiating events related to drug toxicity. Expert Opin Drug Metab Toxicol, 7 :1481-1495 DOI Author Url Publisher Url

Enoch SJ, Ellison CM, Schultz TW, Cronin MTD. 2011. A review of the electrophilic reaction chemistry involved in covalent protein binding relevant to toxicity. Crit Rev Toxicol, 41 :783-802 DOI Author Url Publisher Url

Ellison CM, Sherhod R, Cronin MTD, Enoch SJ, Madden JC, Judson PN. 2011. Assessment of methods to define the applicability domain of structural alert models. J Chem Inf Model, 51 :975-985 DOI Author Url Publisher Url

Enoch SJ, Cronin MTD, Ellison CM. 2011. The use of a chemistry-based profiler for covalent DNA binding in the development of chemical categories for read-across for genotoxicity. Altern Lab Anim, 39 :131-145 DOI Author Url Publisher Url

Schwöbel JAH, Koleva YK, Enoch SJ, Bajot F, Hewitt M, Madden JC, Roberts DW, Schultz TW, Cronin MTD. 2011. Measurement and estimation of electrophilic reactivity for predictive toxicology. Chem Rev, 111 :2562-2596 DOI Author Url Publisher Url

Cronin MTD, Enoch SJ, Hewitt M, Madden JC. 2011. Formation of mechanistic categories and local models to facilitate the prediction of toxicity. ALTEX, 28 :45-49 DOI Author Url Publisher Url

Enoch SJ, Roberts DW, Cronin MTD. 2010. Mechanistic category formation for the prediction of respiratory sensitization. Chem Res Toxicol, 23 :1547-1555 DOI Author Url Publisher Url

Enoch SJ, Cronin MTD. 2010. A review of the electrophilic reaction chemistry involved in covalent DNA binding. Crit Rev Toxicol, 40 :728-748 DOI Author Url Publisher Url

Hewitt M, Ellison CM, Enoch SJ, Madden JC, Cronin MTD. 2010. Integrating (Q)SAR models, expert systems and read-across approaches for the prediction of developmental toxicity. Reprod Toxicol, 30 :147-160 DOI Author Url Publisher Url

Hewitt M, Cronin MTD, Enoch SJ, Madden JC, Roberts DW, Dearden JC. 2009. In silico prediction of aqueous solubility: the solubility challenge. J Chem Inf Model, 49 :2572-2587 DOI Author Url Publisher Url

Cronin MTD, Bajot F, Enoch SJ, Madden JC, Roberts DW, Schwöbel J. 2009. The in chemico-in silico interface: challenges for integrating experimental and computational chemistry to identify toxicity. Altern Lab Anim, 37 :513-521 DOI Author Url Publisher Url

Ellison CM, Enoch SJ, Cronin MT, Madden JC, Judson P. 2009. Definition of the applicability domains of knowledge-based predictive toxicology expert systems by using a structural fragment-based approach. Altern Lab Anim, 37 :533-545 DOI Author Url Publisher Url

Aptula AO, Enoch SJ, Roberts DW. 2009. Chemical Mechanisms for Skin Sensitization by Aromatic Compounds with Hydroxy and Amino Groups CHEMICAL RESEARCH IN TOXICOLOGY, 22 :1541-1547 DOI Author Url

Jomova K, Kysel O, Madden JC, Morris H, Enoch SJ, Budzak S, Young AJ, Cronin MTD, Mazur M, Valko M. 2009. Electron transfer from all-trans beta-carotene to the t-butyl peroxyl radical at low oxygen pressure (an EPR spectroscopy and computational study) CHEMICAL PHYSICS LETTERS, 478 :266-270 DOI Author Url Publisher Url

Enoch SJ, Roberts DW, Cronin MTD. 2009. Electrophilic reaction chemistry of low molecular weight respiratory sensitizers. Chem Res Toxicol, 22 :1447-1453 DOI Author Url Publisher Url

Enoch SJ, Cronin MTD, Madden JC, Hewitt M. 2009. Formation of Structural Categories to Allow for Read-Across for Teratogenicity QSAR & COMBINATORIAL SCIENCE, 28 :696-708 DOI Author Url Publisher Url

Madden JC, Enoch SJ, Hewitt M, Cronin MTD. 2009. Pharmaceuticals in the environment: good practice in predicting acute ecotoxicological effects. Toxicol Lett, 185 :85-101 DOI Author Url Publisher Url

Enoch SJ, Hewitt M, Cronin MTD, Azam S, Madden JC. 2008. Classification of chemicals according to mechanism of aquatic toxicity: an evaluation of the implementation of the Verhaar scheme in Toxtree. Chemosphere, 73 :243-248 DOI Author Url Publisher Url

Enoch SJ, Cronin MTD, Schultz TW, Madden JC. 2008. An evaluation of global QSAR models for the prediction of the toxicity of phenols to Tetrahymena pyriformis. Chemosphere, 71 :1225-1232 DOI Author Url Publisher Url

Enoch SJ, Cronin MTD, Schultz TW, Madden JC. 2008. Quantitative and mechanistic read across for predicting the skin sensitization potential of alkenes acting via Michael addition. Chem Res Toxicol, 21 :513-520 DOI Author Url Publisher Url

Enoch SJ, Madden JC, Cronin MTD. 2008. Identification of mechanisms of toxic action for skin sensitisation using a SMARTS pattern based approach. SAR QSAR Environ Res, 19 :555-578 DOI Author Url Publisher Url

Hewitt M, Cronin MTD, Madden JC, Rowe PH, Enoch SJ. 2007. Applying consensus models to heterogeneous datasets - Any benefit over single MLR models? DRUGS OF THE FUTURE, 32 :90-90 Author Url

Hewitt M, Azam S, Enoch SJ, Madden JC, Cronin MTD. 2007. Prioritising chemicals for testing: Risk assessment based on predicted mechanism of toxic action DRUGS OF THE FUTURE, 32 :112-113 Author Url

Hewitt M, Cronin MTD, Madden JC, Rowe PH, Johnson C, Obi A, Enoch SJ. 2007. Consensus QSAR models: do the benefits outweigh the complexity? J Chem Inf Model, 47 :1460-1468 DOI Author Url Publisher Url

Hewitt M, Enoch SJ, Madden JC, Przybylak KR, Cronin MTD. Hepatotoxicity: A scheme for generating chemical categories for read-across, structural alerts and insights into mechanisms of action Critical Reviews in Toxicology, 43 :537-558 DOI Author Url Publisher Url

Books (authored)

Enoch SJ, Roberts DW. 2013. Approaches for grouping chemicals into categories :30-43 9781849733847 DOI Publisher Url

Award:

LUSH prize for science 2013, LUSH cosmetics. 2014

Editorial boards:

ATLA.