Liverpool Skylilne

Pharmacy and Biomolecular Sciences

Dr Judith Madden

Dr Judith Madden

Telephone: 0151 231 2032

Biography

Judith Madden obtained a dual honours degree in chemistry and pharmacology from the University of Sheffield before completing a PhD in computer-aided drug development at Liverpool John Moores University. She worked as post-doctoral research associate at the University of Manchester investigating pharmacokinetics of drugs and other compounds of interest. Her research interests have developed from the combination this earlier work. Currently her work is focussed on the in silico prediction of activity/toxicity and ADME properties of drugs, cosmetics and other chemicals.

Degrees

1995, Liverpool John Moores University, United Kingdom, Ph D
1991, University of Sheffield, United Kingdom, BSc (Dual Hons) Chemistry and Pharmacology

Academic appointments

Reader in Molecular Design, Liverpool John Moores University, 2010 - present
Lecturer / Senior Lecturer, Liverpool John Moores University, 1998 - 2010
Research Associate, University of Manchester, 1996 - 1998

Postgraduate training

PG Cert LTHE, United Kingdom, Liverpool John Moores University, ? - 2001

Publications

Journal Articles

Przybylak KR, Madden JC, Covey-Crump E, Gibson L, Barber C, Patel M, Cronin MTD. 2018. Characterisation of data resources for in silico modelling: benchmark datasets for ADME properties. Expert Opin Drug Metab Toxicol, 14 :169-181 >DOI >Link

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. J Chem Inf Model, 57 :2424-2436 >DOI >Link

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,

Ebbrell DJ, Madden JC, Cronin MT, Schultz TW, Enoch SJ. 2016. Development of a fragment-based in silico profiler for Michael addition thiol reactivity. Chemical research in toxicology,

Ellison CM, Piechota P, Madden JC, Enoch S, Cronin M. 2016. Adverse Outcome Pathway (AOP) informed modelling of aquatic toxicology - QSARs, read-across and inter-species verification of modes of action. Environmental science & technology,

Ates G, Steinmetz FP, Doktorova TY, Madden JC, Rogiers V. 2016. Linking existing in vitro dermal absorption data to physicochemical properties: contribution to the design of a weight-of-evidence approach for the safety evaluation of cosmetic ingredients with low dermal bioavailability. Regulatory toxicology and pharmacology : RTP, >DOI

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

Richarz A-N, Madden JC, Marchese Robinson RL, Lubiński Ł, Mokshina E, Urbaszek P, Kuz׳min VE, Puzyn T, Cronin MT. 2015. Development of computational models for the prediction of the toxicity of nanomaterials Perspectives in Science, 3 :27-29 >DOI

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

Hewitt M, Ellison CM, Cronin MTD, Pastor M, Steger-Hartmann T, Munoz-Muriendas J, Pognan F, Madden JC. 2015. Ensuring confidence in predictions: A scheme to assess the scientific validity of in silico models ADVANCED DRUG DELIVERY REVIEWS, 86 :101-111 >DOI >Link

steinmetz , madden , Cronin MTD. 2015. Data quality in the human and environmental health sciences: Using statistical confidence scoring to improve QSAR/QSPR modeling Journal of Chemical Information and Modeling, 55 :1739-1746 >DOI

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

Wen Y, Su L, Qin W, Zhao Y, Madden JC, Steinmetz FP, Cronin MTD. 2015. Investigation of Critical Body Residues and Modes of Toxic Action Based on Injection and Aquatic Exposure in Fish WATER AIR AND SOIL POLLUTION, 226 >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

Hutchinson TH, Madden JC, Naidoo V, Walker CH. 2014. Comparative metabolism as a key driver of wildlife species sensitivity to human and veterinary pharmaceuticals PHILOSOPHICAL TRANSACTIONS OF THE ROYAL SOCIETY B-BIOLOGICAL SCIENCES, 369 >DOI >Link

Madden JC, Rogiers V, Vinken M. 2014. Application of in silico and in vitro methods in the development of adverse outcome pathway constructs in wildlife PHILOSOPHICAL TRANSACTIONS OF THE ROYAL SOCIETY B-BIOLOGICAL SCIENCES, 369 >DOI >Link

Rodriguez-Sanchez N, Cronin MTD, Lillicrap A, Madden JC, Piechota P, Tollefsen KE. 2014. DEVELOPMENT OF A LIST OF REFERENCE CHEMICALS FOR EVALUATING ALTERNATIVE METHODS TO IN VIVO FISH BIOACCUMULATION TESTS ENVIRONMENTAL TOXICOLOGY AND CHEMISTRY, 33 :2740-2752 >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

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

Lubinski L, Urbaszek P, Gajewicz A, Cronin MTD, Enoch S, 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

Piechota P, Cronin MTD, Hewitt M, Madden JC. 2013. Pragmatic approaches to using computational methods to predict xenobiotic metabolism. J Chem Inf Model, 53 :1282-1293 >DOI >Link

Ledbetter MR, Gutsell S, Hodges G, O'Connor S, Madden JC, Rowe PH, Cronin MTD. 2013. Prediction of immobilised artificial membrane chromatography retention factors using theoretical molecular fragments and structural features. SAR QSAR Environ Res, 24 :661-678 >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

Madden JC, Hewitt M, Przybylak K, Vandebriel RJ, Piersma AH, Cronin MTD. 2012. Strategies for the optimisation of in vivo experiments in accordance with the 3Rs philosophy Regulatory Toxicology and Pharmacology, 63 :140-154 >DOI

Ledbetter MR, Gutsell S, Hodges G, Madden JC, Rowe PH, Cronin MTD. 2012. Robustness of an immobilized artificial membrane high-performance liquid chromatography method for the determination of lipophilicity Journal of Chemical and Engineering Data, 57 :3696-3700 >DOI

Madden JC, Hewitt M, Przybylak K, Vandebriel RJ, Piersma AH, Cronin MTD. 2012. Strategies for the optimisation of in vivo experiments in accordance with the 3Rs philosophy. Regul Toxicol Pharmacol, 63 :140-154 >DOI >Link

Przybylak KR, Madden JC, Cronin MTD, Hewitt M. 2012. Assessing toxicological data quality: basic principles, existing schemes and current limitations. SAR QSAR Environ Res, 23 :435-459 >DOI >Link

Schwöbel JAH, Madden JC, Cronin MTD. 2011. Application of a chemical reactivity database to predict toxicity for reactive mechanisms Journal of Cheminformatics, 3 >DOI

Ledbetter MR, Gutsell S, Hodges G, Madden JC, O'Connor S, Cronin MTD. 2011. Database of published retention factors for immobilized artificial membrane HPLC and an assessment of the effect of experimental variability. Environ Toxicol Chem, 30 :2701-2708 >DOI >Link

Schwöbel JAH, Madden JC, Cronin MTD. 2011. Application of a computational model for Michael addition reactivity in the prediction of toxicity to Tetrahymena pyriformis. Chemosphere, 85 :1066-1074 >DOI >Link

Koleva YK, Cronin MTD, Madden JC, Schwöbel JAH. 2011. Modelling acute oral mammalian toxicity. 1. Definition of a quantifiable baseline effect. Toxicol In Vitro, 25 :1281-1293 >DOI >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 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

Cronin MTD, Koleva YK, Madden JC. 2010. (Q)SAR Models of Adverse Responses: Acute Systemic Toxicity :299-314 >DOI

Schwöbel JAH, Madden JC, Cronin MTD. 2010. Examination of Michael addition reactivity towards glutathione by transition-state calculations. SAR QSAR Environ Res, 21 :693-710 >DOI >Link

Schwöbel JAH, Wondrousch D, Koleva YK, Madden JC, Cronin MTD, Schüürmann G. 2010. Prediction of michael-type acceptor reactivity toward glutathione. Chem Res Toxicol, 23 :1576-1585 >DOI >Link

Ellison CM, Madden JC, Judson P, Cronin MTD. 2010. Using In Silico Tools in a Weight of Evidence Approach to Aid Toxicological Assessment MOLECULAR INFORMATICS, 29 :97-110 >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

Bajot F, Madden J, Cronin M. 2009. A quantitative structure-activity relationship analysis of the physicochemical determinants for organic anion transporting polypeptide 1A2 binding JOURNAL OF PHARMACY AND PHARMACOLOGY, 61 :A88-A88 >Link

Cronin M, Bajot F, Enoch S, Sakutu Y, Madden J. 2009. In-silico identification of the skin sensitisation potential of active pharmaceutical ingredients JOURNAL OF PHARMACY AND PHARMACOLOGY, 61 :A17-A18

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

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

Denton P, Madden J, Roberts M, Rowe P. 2008. Students' response to traditional and computer-assisted formative feedback: A comparative case study BRITISH JOURNAL OF EDUCATIONAL TECHNOLOGY, 39 :486-500 >DOI >Link

Ellison CM, Cronin MTD, Madden JC, Schultz TW. 2008. Definition of the structural domain of the baseline non-polar narcosis model for Tetrahymena pyriformis. SAR QSAR Environ Res, 19 :751-783 >DOI >Link

Koleva YK, Madden JC, Cronin MTD. 2008. Formation of categories from structure-activity relationships to allow read-across for risk assessment: toxicity of alpha,beta-unsaturated carbonyl compounds. Chem Res Toxicol, 21 :2300-2312 >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

Kleinova M, Hewitt M, Brezova V, Madden JC, Cronin MTD, Valko M. 2007. Antioxidant properties of carotenoids: QSAR prediction of their redox potentials GENERAL PHYSIOLOGY AND BIOPHYSICS, 26 :97-103

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

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

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

Hewitt M, Madden JC, Rowe PH, Cronin MTD. 2007. Structure-based modelling in reproductive toxicology: (Q)SARs for the placental barrier. SAR QSAR Environ Res, 18 :57-76 >DOI >Link

Madden JC, Cronin MTD. 2006. Structure-based methods for the prediction of drug metabolism. Expert Opin Drug Metab Toxicol, 2 :545-557 >DOI >Link

Manga N, Duffy JC, Rowe PH, Cronin MTD. 2005. Structure-based methods for the prediction of the dominant P450 enzyme in human drug biotransformation: consideration of CYP3A4, CYP2C9, CYP2D6. SAR QSAR Environ Res, 16 :43-61 >DOI >Link

Gueorguieva I, Nestorov IA, Murby S, Gisbert S, Collins B, Dickens K, Duffy J, Hussain Z, Rowland M. 2004. Development of a whole body physiologically based model to characterise the pharmacokinetics of benzodiazepines. 1: Estimation of rat tissue-plasma partition ratios Journal of Pharmacokinetics and Pharmacodynamics, 31 :269-298 >DOI

Cronin MTD, Dearden JC, Duffy JC, Schultz TW. 2004. QSAR2004 workshop - Preface SAR AND QSAR IN ENVIRONMENTAL RESEARCH, 15 :321-322 >DOI >Link

Manga N, Duffy JC, Rowe PH, Cronin MTD. 2003. A hierarchical QSAR model for urinary excretion of drugs in humans as a predictive tool for biotransformation QSAR & COMBINATORIAL SCIENCE, 22 :263-273 >DOI >Link

Netzeva TI, Aptula AO, Chaudary SH, Duffy JC, Schultz TW, Schuurmann G, Cronin MTD. 2003. Structure-activity relationships for the toxicity of substituted poly-hydroxylated benzenes to Tetrahymena pyriformis: Influence of free radical formation QSAR & COMBINATORIAL SCIENCE, 22 :575-582 >DOI

Cronin MTD, Aptula AO, Duffy JC, Netzeva TI, Rowe PH, Valkova IV, Schultz TW. 2002. Comparative assessment of methods to develop QSARs for the prediction of the toxicity of phenols to Tetrahymena pyriformis. Chemosphere, 49 :1201-1221 >Link

Cronin MTD, Aptula AO, Dearden JC, Duffy JC, Netzeva TI, Patel H, Rowe PH, Schultz TW, Worth AP, Voutzoulidis K, Schüürmann G. 2002. Structure-based classification of antibacterial activity. J Chem Inf Comput Sci, 42 :869-878 >Link

Cronin MTD, Dearden JC, Duffy JC, Edwards R, Manga N, Worth AP, Worgan ADP. 2002. The importance of hydrophobicity and electrophilicity descriptors in mechanistically-based QSARs for toxicological endpoints. SAR QSAR Environ Res, 13 :167-176 >DOI >Link

Duffy JC, Dearden JC, Rostron C. 2001. Design, synthesis and biological testing of a novel series of anti-inflammatory drugs. J Pharm Pharmacol, 53 :1505-1514 >Link

Duffy JC, Cronin MTD, Dearden JC, Moss GP, Murray-Dickson G. 1999. Prediction of blood-brain barrier partitioning using QSAR analysis Journal of Pharmacy and Pharmacology, 51 :260

Duffy JC, Dearden JC, Rostron C. 1996. A QSAR study of anti-inflammatory N-arylanthranilic acids. J Pharm Pharmacol, 48 :883-886 >Link

Dearden JC, Duffy JC. 1993. QSAR STUDY OF ANTI‐INFLAMMATORY ACTIVITY OF A SERIES OF N‐ARYLANTHRANILIC ACIDS Pharmacy and Pharmacology Communications, 45 :1142-1142 >DOI

Patel M, Chilton M, Sartini A, Gibson L, Barber C, Covey-Crump L, Przybylak K, Cronin MTD, Madden JC. Assessment and Reproducibility of Quantitative Structure–Activity Relationship Models by the Nonexpert Journal of Chemical Information and Modeling, >DOI

Madden JC, Webb S, Enoch SJ, Colley H, Murdoch C, Shipley R, Sharma P, Yang C. In silico prediction of skin metabolism and its implication in toxicity assessment Computational Toxicology, >DOI

Ebbrell DJ, Madden JC, Cronin MTD, Schultz TW, Enoch SJ. Validation of a fragmnet-based profiler for thiol reactivity for the prediction of toxicity: skin sensitisation and tetrahymena pyriformis Chemical Research in Toxicology,

Enoch SJ. The development of an in silico profiler for mitochondrial toxicity Chemical Research in Toxicology, >DOI

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

Arnold KE, Boxall ABA, Brown AR, Cuthbert RJ, Gaw S, Hutchinson TH, Jobling S, Madden JC, Metcalfe CD, Naidoo V, Shore RF, Smits JE, Taggart MA, Thompson HM. Assessing the Exposure Risk and Impacts of Pharmaceuticals in the Environment on Individuals and Ecosystems Biology Letters, 9

Conference Publication (journal proceedings)

Schwab C, Yang C, Rathman J, Mostrag-Szlichtyng A, Tarkhov A, Liu J, Madden J, Bassan A, Fioravanzo E, Cronin M. 2017. Supporting data-mining, read-across and chemical space analysis for toxicity data gap filling using the COSMOS database TOXICOLOGY LETTERS, 53rd Congress of the European-Societies-of-Toxicology (EUROTOX) 280 :S285-S285 >DOI >Link

Madden J, Pletz J, Webb S, Enoch S, Cronin M. 2017. Identifying potential liver toxicants using in vitro and in silico methods in a weight-of-evidence based approach TOXICOLOGY LETTERS, 53rd Congress of the European-Societies-of-Toxicology (EUROTOX) 280 :S133-S133 >DOI >Link

Ellison CM, Madden JC, Mellor CL, Cronin MT. 2016. Improving in silico methods of ecotoxicity hazard identification for active pharmaceutical ingredients (APIs) TOXICOLOGY LETTERS, 52nd Congress of the European-Societies-of-Toxicology (EUROTOX) 258 :S121-S121 >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

Ellison CM, Madden JC, Mellor CL, Cronin MT. 2016. Improving in silico methods of ecotoxicity hazard identification for active pharmaceutical ingredients (APIs) TOXICOLOGY LETTERS, 52nd Congress of the European-Societies-of-Toxicology (EUROTOX) 258 :S121-S121 >DOI

Cronin MT, Yang C, Arvidson K, Boyer I, Fioravanzo E, Heldreth B, Kim JH, Madden JC, Rathman J, Schwab C, Yamada T, Worth AP. 2016. Increasing the availability of high quality regulatory and toxicity data through the COSMOS DB DataShare Point TOXICOLOGY LETTERS, 52nd Congress of the European-Societies-of-Toxicology (EUROTOX) 258 :S122-S122 >DOI

Cronin MT, Yang C, Arvidson K, Boyer I, Fioravanzo E, Heldreth B, Kim JH, Madden JC, Rathman J, Schwab C, Yamada T, Worth AP. 2016. Increasing the availability of high quality regulatory and toxicity data through the COSMOS DB DataShare Point TOXICOLOGY LETTERS, 52nd Congress of the European-Societies-of-Toxicology (EUROTOX) 258 :S122-S122 >Link

Cronin MT, Yang C, Bassan A, Arvidson K, Boyer I, Fioravanzo E, Heldreth B, Kim J, Madden C, Rathman J, Schwab C, Yamada T, Worth A. 2016. COSMOS DB as an International Share Point for Exchanging Safety Evaluation and Toxicity Data, and Expanding the Known Chemical Space Society of Toxicology 55th Annual Meeting 150 :P349-PS 2476

Madden JC, Cronin MT, Pognan F, Ellison CM. 2016. An Automated Method to Assess and Document the Validity of In Silico Models The Toxicologist - Supplement to Toxicological Sciences, Society of Toxicology 55th Annual Meeting 150 :P22-PS1097

Cronin M, Madden J, Mellor C, Przybylak K, Schultz T, Steinmetz F, Richarz A-N. 2015. Supporting read-across predictions of toxicity Going beyond molecular similarity TOXICOLOGY LETTERS, 51st Congress of the European-Societies-of-Toxicology (EUROTOX) 238 :S167-S167 >DOI >Link

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)

Cronin MTD, Madden JC, Mellor C, Przybylak K, Schultz T, Steinmetz F, Richarz AN. 2015. Going beyond molecular similarity Toxicology Letters 238 Suppl S167, 51st Congress of the European Societies of Toxicology (Eurotox)

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)

Ellison C, Madden JC, Cronin MTD, Hewitt M. 2015. Identification of, and overcoming, the barriers to the regulatory use of in silico models for toxicity prediction. Toxicology Letters 238 Suppl S171, 51st Congress of the European Societies of Toxicology (Eurotox)

Fuart-Gatnik M, Cronin MTD, Madden JC, Madden JC, Worth AP. 2015. Application of threshold of toxicological concern to biocides Toxicology Letters 238 Suppl S361, 51st Congress of the European Societies of Toxicology (Eurotox)

Madden J, Nelms M, Cronin M, Enoch S. 2014. Identification of structural alerts for mitochondrial toxicity using chemotyper TOXICOLOGY LETTERS, 50th Congress of the European-Societies-of-Toxicology 229 :S162-S162 >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 J, Richarz A, Neagu D, Yang C, Fioravanzo E, Pery A, Worth A, Bertholdt M, Cronin M. 2013. The COSMOS Project - Developing Integrated Computational Approaches to Predict Repeated Dose Toxicity

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 M, Enoch S, Madden J, Richarz A, Roberts D. 2013. Category formation and read-across for toxicity prediction: A review of the current status and future directions TOXICOLOGY LETTERS, 49th Congress of the European-Societies-of-Toxicology (EUROTOX) 221 :S79-S80 >DOI >Link

Richarz A-N, Cronin M, Madden J, Lubinski L, Mokshina E, Urbaszek P, Puzyn T, Kuz'min V. 2013. Toxicity of nanomaterials: Availability and suitability of data for the development of in silico models TOXICOLOGY LETTERS, 49th Congress of the European-Societies-of-Toxicology (EUROTOX) 221 :S246-S246 >DOI

Richarz A-N, Enoch S, Hewitt M, Madden J, Nelms M, Przybylak K, Yang C, Berthold M, Meinl T, Ohl P, Cronin M. 2013. In silico workflows for toxicity prediction implemented into KNIME TOXICOLOGY LETTERS, 221 :S81-S81 >DOI >Link

Cronin MTD, Madden JC, Richarz A-N, Nelms MD, Steinmetz F. 2013. Applying read-across for quantitative chronic toxicity prediction TOXICOLOGY LETTERS, 221 :S52-S52 >DOI >Link

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

Schwoebel JAH, Koleva YK, Madden JC, Cronin MTD. 2009. A computational investigation of the reactivity of electrophilic toxicants TOXICOLOGY LETTERS, 46th Congress of the European-Societies-of-Toxicology 189 :S259-S259 >DOI

Madden JC, Enoch S, Cronin MTD, Mackridge A. 2009. Predicting the environmental toxicity of pharmaceuticals JOURNAL OF PHARMACY AND PHARMACOLOGY, 61 :A66-A67

Duffy JC, Liew AVL, Cronin MTD. 2004. Prediction of pharmacokinetic parameters using quantitative structure-activity relationships EUROPEAN JOURNAL OF PHARMACEUTICAL SCIENCES, 8th European Congress of Pharmaceutical Sciences 23 :S71-S71

Richarz A-N, Enoch SJ, Hewitt M, Madden JC, Przybylak K, Yang C, Berthold MR, Meinl T, Ohl P, Cronin MT. Flexible and transparent computational workflows for the prediction of target organ toxicity The Toxicologist – A Supplement to Toxicological Sciences, 132 :183

Reports

Paini A, Joossens E, Bessems J, Desalegn A, Dorne JL, Gosling JP, Heringa MB, Klaric M, Kramer N, Loizou G, Louisse J, Lumen A, Madden JC, Patterson EA, Proenca S, Punt A, Setzer RW, Suciu N, Troutman J, Yoon M, Worth A, Tan YM. 2017. EURL ECVAM Workshop on New Generation of Physiologically-Based Kinetic Models in Risk Assessment JRC CONFERENCE AND WORKSHOP REPORTS: EURL ECVAM WORKSHOP ON NEW GENERATION OF PHYSIOLOGICALLY-BASED KINETIC MODELS IN RISK ASSESSMENT :1-76 >DOI

Chapters

Madden JC. 2013. Tools for grouping chemicals and forming categories :72-97 9781849733847

Madden JC. 2013. Sources of chemical information, toxicity data and assessment of their quality :98-126 9781849733847

Cronin M, Madden J, Enoch S. 2013. Preface 9781849733847

Cronin MTD, Madden JC. 2010. Using in silico toxicity predictions: case studies for skin sensitisation Cronin M, Madden J. In Silico Toxicology :606-623 RSC 9781849730044

Madden JC. 2010. Toxicokinetic considerations in predicting toxicity Cronin M, Madden J. In Silico Toxicology :531-557 RSC 9781849730044

Madden JC, Cronin MTD. 2010. Three-dimensional molecular modelling of receptor-based mechanisms in toxicology Cronin M, Madden J. In Silico Toxicology :210-227 RSC 9781849730044

Nendza M, et al . 2010. Data Quality Assessment for in silico methods: a survey of appraoches and needs Cronin M, Madden J. In Silico Toxicology :59-118 RSC 9781849730044

Madden JC. 2010. Introduction to QSAR and other in silico methods to predict toxicity Cronin M, Madden J. In Silico Toxicology :11-30 RSC 9781849730044

Cronin MTD, Madden JC. 2010. In Silico Toxicology - an introduction Cronin M, Madden J. In Silico Toxicology :1-10 RSC 9781849730044

Madden JC. 2009. In silico approaches for predicting ADME properties Puzyn T, Leszczynski J, Cronin MTD. Recent Advances in QSAR Studies: Methods and Applications :283-304 Springer Verlag 9781402097829

Duffy JC. 2004. Prediction of Pharmacokinetic Parameters in Drug Design and Toxicology Cronin MTD, Livingstone D. Predicting chemical toxicity and fate :229-262 CRC 9780415271806

Books

Cronin MTD, Madden JC. 2010. Preface 9781849730044

Cronin M, Madden J. 2010. In Silico Toxicology Cronin MTD, Madden JC. RSC 9781849730044

Cronin MTD, Madden JC, Enoch SJ , Roberts DW. Chemical Toxicity Prediction: Category Formation and Read-Across Royal Society of Chemistry

Engagement & Impact

External PGR examinations performed:

Name of University: Mario Negri, Award student examined for: PhD, Thesis title: DEVELOPMENT OF NEW METHODS FOR THE (Q)SAR APPLICABILITY DOMAIN ASSESSMENT

Name of University: Medway, School of Pharmacy, Award student examined for: PhD, Thesis title: Computational estimation of biliary excretion of compounds and the role of transporters

Membership of professional bodies:

Chartered Biologist, Royal Society of Biology (formerly the Institute of Biology)