Prof Judith Madden
Pharmacy and Biomolecular Sciences
Faculty of Science
Email: J.C.Madden@ljmu.ac.uk
Telephone: 0151 231 2032
ORCID
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
Professor of In Silico Chemical Assessment, School of Pharmacy and Biomolecular Sciences, Liverpool John Moores University, 2020 - present
Reader in Molecular Design, Liverpool John Moores University, 2010 - 2020
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
Highlighted publications
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
Madden JC, Enoch SJ, Paini A, Cronin MTD. 2020. A Review of In Silico Tools as Alternatives to Animal Testing: Principles, Resources and Applications. ATLA Alternatives to Laboratory Animals, :261192920965977-261192920965977 DOI Author Url Publisher Url Public Url
Madden J. 2020. Comment from the New Editor-in-Chief: A Journey to Replacement and the Inevitable Question Alternatives to Laboratory Animals, :026119292094458-026119292094458 DOI Author Url Publisher Url Public Url
Ball N, Madden JC, Paini A, Mathea M, Palmer A, Sperber S, Hartung T, van Ravenzwaay B. 2020. Key Read Across Framework Components and Biology Based Improvements Mutation Research/Genetic Toxicology and Environmental Mutagenesis, 853 DOI Author Url Publisher Url Public Url
Editorial/letter to the editor
Madden JC. 2025. Editorial. Alternatives to laboratory animals : ATLA, :2611929251325009 DOI Author Url Publisher Url
Madden JC. 2025. Editorial Alternatives to Laboratory Animals, 53 :3-4 DOI Author Url Publisher Url
Madden JC. 2024. Editorial Alternatives to Laboratory Animals, 52 :293-294 DOI Author Url Publisher Url
Madden JC. 2024. Editorial Alternatives to Laboratory Animals, 52 :239-240 DOI Author Url Publisher Url
Madden JC. 2024. Editorial Alternatives to Laboratory Animals, 52 :187-188 DOI Author Url Publisher Url
Madden JC. 2024. Editorial Alternatives to Laboratory Animals, 52 :135-136 DOI Author Url Publisher Url
Madden JC. 2024. Editorial Alternatives to Laboratory Animals, 52 :75-76 DOI Author Url Publisher Url
Madden JC. 2024. Editorial Alternatives to Laboratory Animals, 52 :3-4 DOI Author Url Publisher Url
Madden JC. 2023. Editorial Alternatives to Laboratory Animals, 51 :355-356 DOI Author Url Publisher Url
Madden JC. 2023. Editorial Alternatives to Laboratory Animals, 51 :293-294 DOI Author Url Publisher Url
Madden J, Thompson C, Webb S, Penson P, Tan C, Paini A. 2023. S12-01: Physiologically-Based Kinetic (PBK) Models and Applications In Read-Across Toxicology Letters, 384 :S34-S34 DOI Publisher Url
Madden JC. 2023. Editorial Alternatives to Laboratory Animals, 51 :215-216 DOI Author Url Publisher Url
Madden JC. 2023. Editorial Alternatives to Laboratory Animals, 51 :155-156 DOI Author Url Publisher Url
Madden JC. 2023. Editorial Alternatives to Laboratory Animals, 51 :83-84 DOI Author Url Publisher Url
Madden JC. 2023. Editorial Alternatives to Laboratory Animals, 51 :3-4 DOI Author Url Publisher Url
Madden J. 2022. Editorial 50(6) Alternatives to Laboratory Animals, 50
Madden JC. 2022. Editorial Alternatives to Laboratory Animals, 50 :373-374 DOI Author Url Publisher Url
Madden J. 2022. Editorial ATLA Alternatives to Laboratory Animals, 50 Publisher Url
Madden JC. 2022. Editorial ATLA Alternatives to Laboratory Animals, 50 :81-82 DOI Author Url Publisher Url
Madden JC. 2022. Editorial. Alternatives to laboratory animals : ATLA, 50 :3-4 DOI Author Url Publisher Url
Madden JC. 2021. Editorial ATLA-ALTERNATIVES TO LABORATORY ANIMALS, 49 :163-164 DOI Author Url Publisher Url
Madden JC. 2021. Editorial ATLA-ALTERNATIVES TO LABORATORY ANIMALS, 49 :115-116 DOI Author Url Publisher Url
Madden JC. 2021. Editorial ATLA Alternatives to Laboratory Animals, 49 :61-62 DOI Author Url Publisher Url
Madden JC. 2021. Editorial ATLA-ALTERNATIVES TO LABORATORY ANIMALS, 49 :3-4 DOI Author Url Publisher Url
Madden JC. 2020. Editorial ATLA-ALTERNATIVES TO LABORATORY ANIMALS, 48 :205-206 DOI Author Url Publisher Url
Madden J. 2020. Comment from the New Editor-in-Chief: A Journey to Replacement and the Inevitable Question Alternatives to Laboratory Animals, :026119292094458-026119292094458 DOI Author Url Publisher Url Public Url
Madden J. 2020. Editorial ATLA-ALTERNATIVES TO LABORATORY ANIMALS, 48 :139-139 DOI Author Url Publisher Url
Madden JC. 2020. Editorial ATLA-ALTERNATIVES TO LABORATORY ANIMALS, 48 :95-96 DOI Author Url Publisher Url
Madden JC, Tan Y-M, Blaauboer B, Paini A. 2019. Development and Application of Physiologically-Based Kinetic (PBK) Models Computational Toxicology, 13 DOI Publisher Url Public Url
Journal article
Cronin M, Basiri H, Chrysochoou G, Enoch SJ, Firman JW, Spinu N, Madden JC. 2024. The predictivity of QSARs for toxicity: Recommendations for improving model performance Computational Toxicology, 33 DOI Publisher Url Public Url
Madden JC, Kandarova H, Neuhaus W, Osborne N, Paini A, Seabra R, Trigwell S. 2024. Journeying Through Journals: The Publishing Process and How to Maximise Research Impact Alternatives to Laboratory Animals, :1-18 DOI Author Url Publisher Url Public Url
Thompson CV, Webb SD, Leedale JA, Penson PE, Paini A, Ebbrell DJ, Madden JC. 2023. Using Read-Across to Build Physiologically-Based Kinetic Models: Part 2. Case Studies for atenolol and flumioxazin Computational Toxicology, 29 :100293-100293 DOI Publisher Url Public Url
Thompson CV, Webb SD, Leedale JA, Penson PE, Paini A, Ebbrell D, Madden JC. 2023. Using read-across to build physiologically-based kinetic models: Part 1. Development of a KNIME workflow to assist analogue selection for PBK modelling Computational Toxicology, 29 :100292-100292 DOI Publisher Url Public Url
Cronin M, Belfield S, Chavan S, Enoch S, Firman J, Luijten M, Madden J, Marx-Stoelting P, Pradeep P, Steinbach A-M, Willenbockel C-T, Zgheib E. 2023. S23-04: Making quantitative AOP Networks into Usable Tools for Risk Assessment Toxicology Letters, 384 :S50-S50 DOI Publisher Url
Worth A, Paini A, Madden J, Sachana M, Tan C. 2023. S12-04: An assessment framework for PBK models including read-across approach – an international effort Toxicology Letters, 384 :S35-S35 DOI Publisher 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
Krebs C, Camp C, Constantino H, Courtot L, Kavanagh O, Batista Leite S, Madden JC, Paini A, Poojary B, Tripodi IJ, Trunnell ER. 2022. Proceedings of a workshop to address animal methods bias in scientific publishing ALTEX, 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
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
Spinu N, Cronin MTD, Lao J, Bal-Price A, Campia I, Enoch SJ, Madden JC, Lagares LM, Novič M, Pamies D, Scholz S, Villeneuve DL, Worth A. 2021. Probabilistic Modelling of Developmental Neurotoxicity based on a Simplified Adverse Outcome Pathway Network Computational Toxicology, 21 DOI Author Url Publisher Url Public Url
Spinu N, Cronin MTD, Madden JC, Worth A. 2021. A Matter of Trust: Learning Lessons About Causality Will Make qAOPs Credible Computational Toxicology, 21 DOI Author Url Publisher Url Public Url
Thompson C, Firman JW, Goldsmith M, Grulke C, Tan Y-M, Paini A, Penson P, Sayre R, Webb S, Madden JC. 2021. A systematic review of published physiologically-based kinetic models and an assessment of their chemical space coverage Alternatives to Laboratory Animals, 49 :197-208 DOI Author Url 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
Pletz J, Allen T, Madden JC, Cronin MTD, Webb SD. 2021. A Mechanistic Model to Study the Kinetics and Toxicity of Salicylic Acid in the Kidney of Four Virtual Individuals Computational Toxicology, 19 DOI 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
Paini A, Worth A, Kulkarni S, Ebbrell DJ, Madden JC. 2021. Assessment of the predictive capacity of a physiologically based kinetic model using a read-across approach Computational Toxicology, 18 DOI Author Url Publisher Url Public 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. ATLA Alternatives to Laboratory Animals, :261192920965977-261192920965977 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
Ball N, Madden JC, Paini A, Mathea M, Palmer A, Sperber S, Hartung T, van Ravenzwaay B. 2020. Key Read Across Framework Components and Biology Based Improvements Mutation Research/Genetic Toxicology and Environmental Mutagenesis, 853 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
Pawar G, Madden JC, Ebbrell DJ, Firman JW, Cronin MTD. 2019. In Silico Toxicology Data Resources to Support Read-Across and (Q)SAR Frontiers in Pharmacology, 10 DOI Author Url Publisher Url Public Url
Madden JC, Pawar G, Cronin MTD, Webb SD, Tan Y-M, Paini A. 2019. In Silico Resources to Assist in the Development and Evaluation of Physiologically-Based Kinetic Models Computational Toxicology, 11 :33-49 DOI Publisher Url Public Url
Paini A, Leonard JA, Joossens E, Bessems JGM, Desalegn A, Dorne JL, Gosling JP, Heringa MB, Klaric M, Kliment T, Kramer NI, Loizou G, Louisse J, Lumen A, Madden JC, Patterson EA, Proença S, Punt A, Setzer RW, Suciu N, Troutman J, Yoon M, Worth A, Tan YM. 2019. Next generation physiologically based kinetic (NG-PBK) models in support of regulatory decision making Computational Toxicology, 9 :61-72 DOI Author Url Publisher Url Public Url
Lukac I, Abdelhakim H, Ward RA, St-Gallay SA, Madden JC, Leach AG. 2019. Predicting protein–ligand binding affinity and correcting crystal structures with quantum mechanical calculations: lactate dehydrogenase A Chemical Science, 10 :2218-2227 DOI Author Url Publisher Url Public Url
Diukendjieva A, Tsakovska I, Alov P, Pencheva T, Pajeva I, Worth A, Madden J, Cronin MTD. 2018. Advances in the Prediction of Gastrointestinal Absorption: Quantitative Structure-Activity Relationship (QSAR) modelling of PAMPA Permeability Computational Toxicology, 10 :51-59 DOI Publisher Url Public Url
Cronin MTD, Madden JC, Yang C, Worth A. 2018. Unlocking the Potential of In Silico Chemical Safety Assessment – A Report on a Cross-Sector Symposium on Current Opportunities and Future Challenges Computational Toxicology, 10 :38-43 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
Patel M, Chilton M, Sartini A, Gibson L, Barber C, Covey-Crump L, Przybylak KR, Cronin MTD, Madden JC. 2018. Assessment and Reproducibility of Quantitative Structure-Activity Relationship Models by the Nonexpert Journal of Chemical Information and Modeling, 58 :673-682 DOI Author Url Publisher Url Public Url
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 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
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
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
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, 76 :74-78 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
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
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
Steinmetz FP, Madden JC, 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 Author Url Publisher Url Public Url
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 :1-11 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
Hewitt M, Ellison CM, Cronin MTD, Madden JC, Pastor M, Steger-Hartmann T, Munoz-Muriendas J, Pognan F. 2015. Ensuring confidence in predictions: A scheme to assess the scientific validity of in silico models Advanced Drug Delivery Reviews, 86 :101-111 DOI Author Url Publisher Url Public Url
Richarz A-N, Madden JC, Marchese Robinson RL, Lubiński Ł, Mokshina E, Urbaszek P, Kuz׳min VE, Puzyn T, Cronin MTD. 2015. Development of computational models for the prediction of the toxicity of nanomaterials Perspectives in Science, 3 :27-29 DOI 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
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 Author Url Publisher Url Public Url
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 Author Url Publisher Url Public Url
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 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
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 Author Url Publisher Url
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 Author Url Publisher Url
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
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
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 Author Url Publisher Url
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 Author Url Publisher Url
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 Author Url Publisher Url
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 Author Url Publisher Url
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 Author Url Publisher Url
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 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
Schwöbel JAH, Madden JC, Cronin MTD. 2011. Application of a chemical reactivity database to predict toxicity for reactive mechanisms Journal of Cheminformatics, 3 DOI 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
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 Author Url Publisher Url
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 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
Cronin MTD, Koleva YK, Madden JC. 2010. (Q)SAR Models of Adverse Responses: Acute Systemic Toxicity :299-314 DOI Publisher Url
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 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
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, 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
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 Author Url
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 Author Url
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 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
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 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
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 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
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 Author Url
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 Author Url Publisher 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
Madden JC, Cronin MTD. 2006. Structure-based methods for the prediction of drug metabolism. Expert Opin Drug Metab Toxicol, 2 :545-557 DOI Author Url Publisher Url
Watt L, Allison C, Akbarian-Tefaghi N, Murphy K, Rostron C, Madden J, Downing J. 2006. Comparison of alternative methods for the assessment of gastric injury in rats treated acutely with non-steroidal anti-inflammatory drugs (NSAIDs) and their glyceryl esters JOURNAL OF PHARMACY AND PHARMACOLOGY, 58 :A88-A88 Author Url
Downing JEG, Madden JC, Ingram MJ, Rostron C. 2005. Gastric and thymic assay of acute oral treatment of rats with nitric oxide esters of ibuprofen or indomethacin. Biochem Biophys Res Commun, 334 :646-653 DOI Author Url Publisher Url
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 Author Url Publisher Url
Cronin MTD, Dearden JC, Duffy JC, Schultz TW. 2004. QSAR2004 workshop - Preface SAR AND QSAR IN ENVIRONMENTAL RESEARCH, 15 :321-322 DOI Author Url Publisher Url
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 Author Url Publisher Url
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 Author Url Publisher Url
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 Author Url Publisher Url
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 DOI Author Url Publisher Url
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 Author Url Publisher Url
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 DOI Author Url Publisher Url
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 DOI Author Url Publisher Url
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 DOI Author Url Publisher Url
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
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
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 DOI Author Url Publisher Url
Conference publication
Tran H, Henney N, Madden J, Penson P, Culter S. 2024. 4CPS-075 A systematic review of the target pharmacokinetic/pharmacodynamic parameters of antibiotics treating gram-negative infections Section 4: Clinical pharmacy services, 28th EAHP Congress, Bordeaux, France, 20-21-22 March 2024 :A88.1-A88 DOI Publisher Url
Cronin MT, Basiri H, Belfield SJ, Enoch SJ, Firman JW, Hardy B, Madden JC, Maran U, Piir G, Sild S. 2024. Ensuring in silico models for toxicology are FAIR TOXICOLOGY LETTERS, 399 :S132-S132 DOI Publisher Url
Madden J, Thompson C, Webb S, Penson P, Tan C, Paini A. 2023. Physiologically-Based Kinetic (PBK) Models and Applications in Read-Across Toxicology Letters, Eurotox 2023 :S32-S32
Worth A, Paini A, Madden J, Sachana M, Tan C. 2023. An Assessment Framework for PBK Models Including Read-Across Approach - An International Effort Toxicology Letters, Eurotox 2023 :S33-S33
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
Madden J, Thompson C, Paini A. 2022. Criteria for selecting physiologically-based kinetic models for use in developing new models for data-poor analogues via a read-across approach Toxicology Letters, XVIth International Congress of Toxicology (ICT 2022), Maastricht, The Netherlands 368S1 :S268-S269 DOI Publisher Url
Thompson C, Webb SD, Leedale J, Penson PE, Paini A, Ebbrell D, Madden J. 2022. P17-04 An automated tool for selection of chemical analogues to facilitate development of new physiologically-based kinetic models using a read-across approach XVIth International Congress of Toxicology (ICT 2022) DOI Publisher Url
Thompson C, Webb SD, Leedale J, Penson P, Madden J, Paini A. 2022. Development of a Tool to Assist Selection of Chemical Analogues to Facilitate Development of New Physiologically Based Kinetic Models Using a Read-Across Approach The Toxicologist: Supplement to Toxicological Sciences, Society of Toxicology (SOT) 61st Annual Meeting & TOXEXPO :448-448 Publisher Url
Madden J. 2022. Leveraging Information from Existing PBPK Models to Increase Confidence (Reduce Uncertainty) in New Models The Toxicologist: Supplement to Toxicological Sciences, SOT 61st Annual Meeting & ToxExpo :19-20 Publisher Url
Thompson C, Penson P, Madden J. 2022. Development of a Database of Physiologically-based Kinetic Models Alternatives to Laboratory Animals, JRC Summer School 49 :291-292
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 DOI Author Url Publisher Url
Madden J, Thompson C, Webb S, Ebbrell D, Penson P, Tan Y-M, Paini A. 2021. Tools to support application of physiologically based kinetic modelling in safety assessment Altex Proceedings, 11th World Congress on Alternatives and Animal Use in the Life Sciences 49 :52-52 Publisher 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
Thompson C, Webb S, Penson P, Sneddon A, Madden J. 2021. Assessing the reproducibility of published physiologically based kinetic models ALTEX Proceedings, 11th World Congress on Alternatives and Animal Use in the Life Sciences 9 :248-248
Pletz J, Allen T, Madden J, Cronin MT, Webb S. 2019. A mechanistic model incorporating IVIVE to quantify a proposed AOP on the nephrotoxicity of NSAIDs TOXICOLOGY LETTERS, 55th Congress of the European-Societies-of-Toxicology (EUROTOX) - Toxicology - Science Providing Solutions 314 :S265-S265 Author Url
Yang C, Cronin MT, Ebbrell D, Firman JW, Kawamoto T, Madden JC, Magdziarz T, Mostrag A, Rathman JF, Theophilus EH. 2019. novel methods for estimating noael confidence bounds and optimising similarity measures for read-across workflows TOXICOLOGY LETTERS, 55th Congress of the European-Societies-of-Toxicology (EUROTOX) - Toxicology - Science Providing Solutions 314 :S259-S260 Author Url
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
Madden JC, Ebbrell DJ, Cronin MTD. 2018. Identifying potential analogues for read-across in Physiologically-Based Kinetic (PBK) modelling TOXICOLOGY LETTERS, 54th Congress of the European-Societies-of-Toxicology (EUROTOX) - Toxicology Out of the Box 295 :S100-S100 DOI Author Url Publisher Url
Dorne J-LCM, Amzal B, Quignot N, Wiecek W, Bechaux C, Darney K, Grech A, Brochot C, Beaudouin R, Bois F, Ragas A, Lautz L, Oldenkamp R, Kramer N, Kasteel E, Testai E, Vichi S, Di Consiglio E, Turco L, Buratti F, Tebby C, Cortinas-Abrahantes J, Paini A, Madden JC, Robinson T. 2018. Developing TK databases and tools to support food safety assessment TOXICOLOGY LETTERS, 54th Congress of the European-Societies-of-Toxicology (EUROTOX) - Toxicology Out of the Box 295 :S5-S6 DOI Author Url Publisher Url
Madden JC. 2018. Predictive Tools and Databases for Toxicokinetics TOXICOLOGY LETTERS, 54th Congress of the European-Societies-of-Toxicology (EUROTOX) - Toxicology Out of the Box 295 :S7-S7 DOI Author Url Publisher Url
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 Author Url Publisher Url
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 Author Url Publisher Url
Yang C, Rathman J, Mostrag A, Schwab C, Tarkhov A, Liu J, Cronin M, Madden J, Bassan A, Fioravanzo E. 2017. COSMOS database as a tool for ontology-driven data mining, in silico modeling and read-across ABSTRACTS OF PAPERS OF THE AMERICAN CHEMICAL SOCIETY, 254th National Meeting and Exposition of the American-Chemical-Society (ACS) on Chemistry's Impact on the Global Economy 254 Author Url
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 Author Url
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 Author Url Publisher Url
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 Author 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
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 Author Url Publisher Url
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 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
Lukac I, Leach A, Madden J, Holdgate G, Davies G. 2016. PHGDH: A case study for the structural rationalization of thermodynamics and kinetics of protein-ligand binding ABSTRACTS OF PAPERS OF THE AMERICAN CHEMICAL SOCIETY, 251 Author Url
Lukac I, Leach A, Madden J. 2016. Theoceptors for lactate dehydrogenase A: A purely quantum mechanical approach to computing binding affinity ABSTRACTS OF PAPERS OF THE AMERICAN CHEMICAL SOCIETY, 251 Author Url
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) DOI Author Url Publisher Url
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) 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
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)
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
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 Author Url Publisher Url
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 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
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
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 Author Url Publisher Url
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 Author Url Publisher Url
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
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 Author Url Publisher Url
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 Author Url Publisher Url
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 Author Url Publisher Url
Madden JC, Enoch S, Cronin MTD, Mackridge A. 2009. Predicting the environmental toxicity of pharmaceuticals JOURNAL OF PHARMACY AND PHARMACOLOGY, 61 :A66-A67 Author Url
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 Author Url
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
Dorne J-L, Amzal B, Quignot N, ... , Madden J. Developing TK databases and tools to support food safety assessment Toxicology Letters, Eurotox 2018 295 :suppl 1-suppl 1 DOI
Cutler S, Tran H, Henney N, Penson P, Madden J. A systematic review of the target pharmacokinetic/pharmacodynamic parameters of antibiotics treating gram-negative infections
Other
Tran H, Henney N, Cutler S, Madden J, Barton G. 2022. Target Pharmacokinetic/pharmacodynamic parameters of antibiotics treating gram-negative infections. A systematic review and meta-analysis [CRD42022376130]
Thompson C, Penson P, Madden J. 2020. Research Protocol Registration: Systematic review to determine the chemical space of existing physiologically-based kinetic (PBK) models PROSPERO 2020 CRD42020171130, Publisher Url
Dataset
Sayre R, Grulke C, Tan Y-M, Madden J, Thompson C, Webb S, Penson P. 2019. Existing physiologically-based kinetic (PBK) models, identified via PubMed searches (with associated EndNote library) DOI
Chapters
Cronin MTD, Enoch SJ, Madden JC, Richarz A-N. 2019. Read-Across to Fill Toxicological Data Gaps: Good Practice to Ensure Success with Nanoparticles COMPUTATIONAL NANOTOXICOLOGY: CHALLENGES AND PERSPECTIVES :381-400 978-981-4800-64-8 DOI Publisher Url
Madden JC. 2013. Chapter 5 Chemical Toxicity Prediction :98-126 Royal Society of Chemistry (RSC) DOI
Madden JC. 2013. Chapter 4 Chemical Toxicity Prediction :72-97 Royal Society of Chemistry (RSC) DOI
Madden JC. 2013. Sources of chemical information, toxicity data and assessment of their quality :98-126 DOI Publisher Url
Madden JC. 2013. Tools for grouping chemicals and forming categories :72-97 DOI Publisher Url
Cronin M, Madden J, Enoch S. 2013. Preface DOI Publisher Url
Madden JC. 2013. Acids and Bases Denton P, Rostron C. Pharmaceutics the Science of Medicine Design :86-104 Oxford University Press. Glasgow 9780199655311
Cronin M, Madden J, Enoch S. 2013. Preface Chemical Toxicity Prediction :7-8 Royal Society of Chemistry (RSC) DOI
Madden JC. 2011. Sources of Chemical Information, Toxicity Data and Assessment of Their Quality Kinase Drug Discovery :98-126 The Royal Society of Chemistry 9781849731744 DOI Publisher Url
Madden JC. 2011. Tools for Grouping Chemicals and Forming Categories Kinase Drug Discovery :72-97 The Royal Society of Chemistry 9781849731744 DOI Publisher Url
Cronin MTD, Madden JC. 2010. In Silico Toxicology - an introduction Cronin M, Madden J. In Silico Toxicology :1-10 RSC 9781849730044 DOI
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 DOI
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, Cronin MTD. 2010. Three-dimensional molecular modelling of receptor-based mechanisms in toxicology Cronin M, Madden J. In Silico Toxicology :210-227 RSC 9781849730044
Madden JC. 2010. Toxicokinetic considerations in predicting toxicity Cronin M, Madden J. In Silico Toxicology :531-557 RSC 9781849730044 DOI
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 DOI
Cronin MTD, Madden JC. 2010. Using In Silico Toxicity Predictions: Case Studies for Skin Sensitisation In Silico Toxicology :606-623 The Royal Society of Chemistry 9781849730044 DOI Publisher Url
Madden JC. 2010. Introduction to QSAR and Other In Silico Methods to Predict Toxicity In Silico Toxicology :11-30 The Royal Society of Chemistry 9781849730044 DOI Publisher Url
Madden JC, Cronin MTD. 2010. Three-Dimensional Molecular Modelling of Receptor-Based Mechanisms in Toxicology In Silico Toxicology :210-227 The Royal Society of Chemistry 9781849730044 DOI Publisher Url
Nendza M, Aldenberg T, Benfenati E, Benigni R, Cronin MTD, Escher S, Fernandez A, Gabbert S, Giralt F, Hewitt M, Hrovat M, Jeram S, Kroese D, Madden JC, Mangelsdorf I, Rallo R, Roncaglioni A, Rorije E, Segner H, Simon-Hettich B, Vermeire T. 2010. Data Quality Assessment for In Silico Methods: A Survey of Approaches and Needs In Silico Toxicology :59-117 The Royal Society of Chemistry 9781849730044 DOI Publisher Url
Cronin MTD, Madden JC. 2010. In Silico Toxicology—An Introduction In Silico Toxicology :1-10 The Royal Society of Chemistry 9781849730044 DOI Publisher Url
Madden JC. 2010. Toxicokinetic Considerations in Predicting Toxicity In Silico Toxicology :531-557 The Royal Society of Chemistry 9781849730044 DOI Publisher Url
Madden JC. 2010. Introduction to QSAR and Other In Silico Methods to Predict Toxicity IN SILICO TOXICOLOGY: PRINCIPLES AND APPLICATIONS 7 :11-30 978-1-84973-004-4
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 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
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
Ebbrell D, Cronin M, Ellison C, Firman J, Madden J. Development of Baseline Quantitative Structure-Activity Relationships (QSARs) for the Effects of Active Pharmaceutical Ingredients (APIs) to Aquatic Species Roy K. Ecotoxicological QSARs Springer 978-1-0716-0149-5 DOI Publisher Url
Madden J, Thompson C. Pharmacokinetic Tools and Applications Benfenati E. In Silico Methods for Predicting Drug Toxicity DOI Author Url Publisher Url
Report
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 DOI Publisher Url Public Url
Books (authored)
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
Highlighted activities
Editorial boards:
ATLA Alternatives to Laboratory Animals, Editor-in-Chief, https://journals.sagepub.com/home/atl. 2020
Professional activities
Research Grants Awarded:
The Humane Research Trust, In Silico PBK, Professor Peter Penson, Dr Philippa McCabe, Grant value (£): £89.995, Duration of research project: Two years. 2024
European Partnership for Alternatives to Animal Testing, Tools to Support Application of Physiologically-Based Kinetic Modelling in Safety Assessment, Peter Penson, Grant value (£): 83,000, Duration of research project: 3 years. 2019
Editorial boards:
ATLA Alternatives to Laboratory Animals, Editor-in-Chief, https://journals.sagepub.com/home/atl. 2020
Computational Toxicology, Guest editor-in-chief. 2018
External PGR examinations performed:
Mario Negri, PhD, Integration of Toxicity Data from Experiments and Non-Testing Methods Within a Weight of Evidence Procedure. 2018
Mario Negri, PhD, DEVELOPMENT OF NEW METHODS FOR THE (Q)SAR APPLICABILITY DOMAIN ASSESSMENT. 2015
Medway, School of Pharmacy, PhD, Computational estimation of biliary excretion of compounds and the role of transporters. 2014
Membership of professional bodies:
Chartered Biologist, Royal Society of Biology (formerly the Institute of Biology). 1991