Liverpool Skylilne

Pharmacy and Biomolecular Sciences

Dr Steven Enoch

Dr Steven Enoch

Telephone: 0151 231 2164

Publications

Journal Articles

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 AND MODELING, 57 :2424-2436 >DOI >Link

Sullivan KM, 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 Applied In Vitro Toxicology, >DOI

Yang C, Barlow SM, Jacobs KLM, Vitcheva V, Boobis AR, Felter SP, Arvidson KB, Keller D, Cronin MTD, Enoch S, 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 >Link

Madden JC, Webb S, Enoch SJ, Colley HE, 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, 3 :44-57 >DOI

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

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 Sensitization and Tetrahymena pyriformis CHEMICAL RESEARCH IN TOXICOLOGY, 30 :604-613 >DOI >Link

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 >Link

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 >Link

Dearden JC, Hewitt M, Roberts DW, Enoch SJ, Rowe PH, Przybylak KR, Vaughan-Williams GD, Smith ML, Pillai GG, Katritzky AR. 2015. Mechanism-Based QSAR Modeling of Skin Sensitization CHEMICAL RESEARCH IN TOXICOLOGY, 28 :1975-1986 >DOI >Link

Nelms MD, Mellor CL, Cronin MTD, Madden JC, Enoch SJ. 2015. Development of an in Silico Profiler for Mitochondrial Toxicity CHEMICAL RESEARCH IN TOXICOLOGY, 28 :1891-1902 >DOI >Link

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

Seed MJ, Enoch SJ, Agius RM. 2015. Chemical determinants of occupational hypersensitivity pneumonitis OCCUPATIONAL MEDICINE-OXFORD, 65 :673-681 >DOI >Link

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 >Link

Nelms MD, Ates G, Madden JC, Vinken M, Cronin MTD, Rogiers V, Enoch SJ. 2015. Proposal of an in silico profiler for categorisation of repeat dose toxicity data of hair dyes ARCHIVES OF TOXICOLOGY, 89 :733-741 >DOI >Link

Enoch SJ, Roberts DW, Madden JC, Cronin MTD. 2014. Development of an In Silico Profiler for Respiratory Sensitisation ATLA-ALTERNATIVES TO LABORATORY ANIMALS, 42 :367-375 >Link

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 >Link

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 >Link

Enoch SJ, Przybylak KR, Cronin MTD. 2013. Category formation case studies Issues in Toxicology, :127-154

Enoch SJ, Roberts DW. 2013. Approaches for grouping chemicals into categories Issues in Toxicology, :30-43

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

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

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

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, 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

Enoch SJ, Cronin MTD, Schultz TW. 2013. The definition of the toxicologically relevant applicability domain for the SAr reaction for substituted pyridines and pyrimidines{star, open} SAR and QSAR in Environmental Research, >DOI

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

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 >Link

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

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 >Link

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 >Link

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 >Link

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 >Link

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 >Link

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 >Link

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 >Link

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 >Link

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

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

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

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 >Link

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 >Link

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 >Link

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 >Link

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 >Link

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 >Link

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

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 >Link

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 >Link

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 >Link

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 >Link

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 >Link

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 >Link

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 >Link

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 >Link

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 >Link

Enoch SJ. Developing a framework for assessing respiratory sensitization: A workshop report REGULATORY TOXICOLOGY AND PHARMACOLOGY,

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

Conference Publication (journal proceedings)

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 >Link

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 >Link

Richarz A-N, Alov P, Enoch SJ, Kovarich S, Lan Y, Meinl T, Mellor C, Neagu D, Paini A, Palczewska A, Benito JVS, Steinmetz F, Cronin MT. 2015. In silico chemistry-based workflows to facilitate ADMET prediction for cosmetics-related substances TOXICOLOGY LETTERS, 51st Congress of the European-Societies-of-Toxicology (EUROTOX) 238 :S170-S170 >DOI >Link

Richarz A-N, Enoch SJ, Fioravanzo E, Kovarich S, Madden JC, Mellor C, Mostrag-Szlichtyng A, Palczewska A, Przybylak K, Steinmetz F, Tsakovska I, Yang C, Cronin MT. 2015. Chemical and mechanistic similarity based assessment of the cosmetics space supporting the evaluation of cosmetics-related substances TOXICOLOGY LETTERS, 51st Congress of the European-Societies-of-Toxicology (EUROTOX) 238 :S170-S170 >DOI >Link

Steinmetz FP, Ebbrell DJ, Enoch SJ, Madden JC, Nelms MD, 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, 51st Congress of the European-Societies-of-Toxicology (EUROTOX) 238 :S166-S166 >DOI >Link

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 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

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 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 >Link

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

Chapters

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. 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

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

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

Engagement & Impact

Award:

Award title: LUSH prize for science 2013, Awarding body: LUSH cosmetics

Editorial boards:

Publication: ATLA