Liverpool Skylilne

Pharmacy and Biomolecular Sciences

Prof Mark Cronin

Prof Mark Cronin

Telephone: 0151 231 2402

ORCID

Publications

Highlighted publications

Mellor C, Marchese Robinson RL, Benigni R, Ebbrell D, Enoch S, Firman J, Madden J, Pawar G, Yang C, Cronin MTD. 2019. Molecular Fingerprint-Derived Similarity Measures for Toxicological Read-Across: Recommendations for Optimal Use Regulatory Toxicology and Pharmacology, 101 :121-134 DOI Author Url Public Url

Schultz TW, Richarz A-N, Cronin MTD. 2018. Assessing Uncertainty in Read-Across: Questions to Evaluate Toxicity Predictions Based on Knowledge Gained from Case Studies Computational Toxicology, DOI Publisher Url Public Url

Pletz J, Enoch SJ, Jais DM, Mellor CL, Pawar G, Madden JC, Webb S, 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

Patlewicz G, Cronin MTD, Helman G, Lambert JC, Lizarraga LE, Shah I. 2018. Navigating through the minefield of read-across frameworks: A commentary perspective Computational Toxicology, DOI Publisher Url Public Url

Patel M, Chilton M, Sartini A, Gibson L, Barber C, Covey-Crump L, Przybylak K, 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 Public Url

Journal article

Laroche C, Annys E, Bender H, Botelho D, Botham P, Brendler-Schwaab S, Clayton R, Corvaro M, Dal Negro G, Delannois F, Dent M, Desaintes C, Desprez B, Dhalluin S, Hartmann A, Hoffmann-Doerr S, Hubesch B, Irizar A, Manou I, Müller BP, Nadzialek S, Prieto P, Rasenberg M, Roggeband R, Rowan TG, Schutte K, van de Water B, Westmoreland C, Whelan M, Wilschut A, Zvonimir Z, Cronin MTD. 2019. Finding synergies for the 3Rs – Repeated Dose Toxicity testing: Report from an EPAA Partners' Forum Regulatory Toxicology and Pharmacology, 108 DOI Author Url Public Url

Spinu N, Bal-Price A, Cronin M, Enoch S, Madden J, 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

Desprez B, Birk B, Blaauboer B, Boobis A, Carmichael P, Cronin M, Curie R, Daston G, Hubesch B, Jennings P, Klaric M, Kroese D, Mahony C, Ouédraogo G, Piersma A, Richarz A-N, Schwarz M, van Benthem J, van de Water B, Vinken M. 2019. A mode-of-action ontology model for safety evaluation of chemicals: outcome of a series of workshops on repeated dose toxicity Toxicology in Vitro, :44-50 DOI Author Url Publisher Url Public Url

Cronin M, Richarz A-N, Schultz T. 2019. Identification and Description of the Uncertainty, Variability, Bias and Influence in Quantitative Structure-Activity Relationships (QSARs) for Toxicity Prediction Regulatory Toxicology and Pharmacology, 106 :90-104 DOI Author Url Publisher Url Public Url

Hasselgren C, Ahlberg E, Akahori Y, Amberg A, Anger L, Atienzar F, Auerbach S, Beilke L, Bellion P, Benigni R, Bercu J, Booth E, Bower D, Brigo A, Cammerer Z, Cronin M, Crooks I, Cross K, Custer L, Dobo K, Doktorova T, Faulkner D, Ford DA, Fortin MC, Frericks M, Gad-McDonald SE, Gellatly N, Gerets H, Gervais V, Glowienke S, van Gompel J, Harvey JS, Hillegass J, Honma M, Hsieh JH, Hsu CW, Barton-Maclaren TS, Johnson C, Jolly R, Jones D, Kemper R, Kenyon MO, Kruhlak NL, Kulkarni SA, Kümmerer K, Leavitt P, Maston S, Miller S, Moudgal C, Muster W, Paulino A, Piparo EL, Powley M, Quigley DP, Reddy MV, Richarz AN, Schilter B, Snyder RD, Stavitskaya L, Stidl R, Szabo DT, Teasdale A, Tice RR, Trejo-Martin A, Vuorinen A, Wall BA, Watts P, White AT, Wichard J, Witt KL, Woolley A, Woolley D, Zwickl C, Myatt GJ. 2019. Genetic toxicology in silico protocol Regulatory Toxicology and Pharmacology, DOI Author Url Publisher Url Public Url

Pawar G, Madden J, Ebbrell D, Firman J, Cronin M. 2019. In Silico Toxicology Data Resources to Support Read-Across and (Q)SAR Frontiers in Pharmacology, 10 DOI Author Url Publisher Url Public Url

Diukendjieva A, Tsakovska I, Alov P, Pencheva T, Pajeva I, Worth A, Madden J, Cronin MTD. 2019. Advances in the Prediction of Gastrointestinal Absorption: Quantitative Structure-Activity Relationship (QSAR) modelling of PAMPA Permeability Computational Toxicology, 10 :51-59 DOI Public Url

Madden J, Pawar G, Cronin M, Webb S, Tan Y-M, Paini A. 2019. In Silico Resources to Assist in the Development and Evaluation of Physiologically-Based Kinetic Models Compuational Toxicology, 11 :33-49 DOI Publisher Url Public Url

Matveieva M, Cronin MTD, Polishchuk P. 2019. Interpretation of QSAR Models: Mining Structural Patterns Taking into Account Molecular Context MOLECULAR INFORMATICS, 38 DOI Author Url Public Url

Diukendjieva A, Alov P, Pencheva T, Tsakovska I, Richarz A, Kren V, Cronin MTD, Pajeva I. 2019. In vitro and in silico studies of the membrane permeability of natural flavonoids from Silybum marianum (L.) Gaertn. and their derivatives Phytomedicine, 53 :79-85 DOI Author Url Public Url

Mellor C, Marchese Robinson RL, Benigni R, Ebbrell D, Enoch S, Firman J, Madden J, Pawar G, Yang C, Cronin MTD. 2019. Molecular Fingerprint-Derived Similarity Measures for Toxicological Read-Across: Recommendations for Optimal Use Regulatory Toxicology and Pharmacology, 101 :121-134 DOI Author 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, DOI Author Url Publisher Url Public Url

Nelms M, Mellor C, Enoch S, Judson R, Patlewicz G, Richard A, Madden J, 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 Public Url

Schultz TW, Richarz A-N, Cronin MTD. 2018. Assessing Uncertainty in Read-Across: Questions to Evaluate Toxicity Predictions Based on Knowledge Gained from Case Studies Computational Toxicology, DOI Publisher Url Public Url

Pletz J, Enoch SJ, Jais DM, Mellor CL, Pawar G, Madden JC, Webb S, 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

Firman J, Patel A, Date M, Cronin MTD, Schultz TW. 2018. Read-across of 90-day rodent repeated-dose toxicity: A case study for selected simple aryl alcohol alkyl carboxylic acid esters Computational Toxicology, 7 :1-8 DOI Author Url Publisher Url Public Url

Patlewicz G, Cronin MTD, Helman G, Lambert JC, Lizarraga LE, Shah I. 2018. Navigating through the minefield of read-across frameworks: A commentary perspective Computational Toxicology, DOI Publisher Url Public Url

Patel M, Chilton M, Sartini A, Gibson L, Barber C, Covey-Crump L, Przybylak K, 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 Public Url

Yang C, Barlow SM, Muldoon Jacobs KL, 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 Author Url Public Url

Cronin MTD, richarz A. 2017. Relationship Between Adverse Outcome Pathways and Chemistry-Based in Silico Models to Predict Toxicity Applied In Vitro Toxicology, 3 :286-297 DOI Publisher Url Public Url

Sanz F, Pognan F, Steger-Hartmann T, Diaz C, Cases M, Pastor` M, Marc P, Wichard J, Briggs K, Watson D, Kleinöder, T, Yang C, Amberg A, Beaumont M, Brookes AJ, Brunak S, Cronin MTD, Ecker GF, Escher S, Greene N, Guzman A, Hersey A, Jacques P, Lammens L, Mestres J, Muster W, Northeved H, Pinches M, Saiz J, Sajot N, Valencia A, van der Lei J, Vermeulen NPE, Vock E, Wolber G, Zamora I. 2017. Legacy data sharing to improve drug safety assessment: the eTOX project Nature Reviews Drug Discovery, 16 :811-812 DOI Author Url Public Url

Schultz TW, Cronin MTD. 2017. Lessons Learned from Read-Across Case Studies for Repeated-Dose Toxicity Regulatory Toxicology and Pharmacology, 88 :185-191 DOI Author Url Public Url

Brockmeier EK, Hodges G, Hutchinson TH, Butler E, Hecker M, Tollefsen KE, Garcia-Reyero N, Kille P, Becker D, Chipman K, Colbourne J, Collette TW, Cossins A, Cronin MTD, Graystock P, Gutsell S, Knapen D, Katsiadaki I, Lange A, Marshall S, Owen SF, Perkins EJ, Plaistow S, Schroeder A, Taylor D, Viant M, Ankley G, Falciani F. 2017. The Role of Omics in the Application of Adverse Outcome Pathways for Chemical Risk Assessment Toxicological Sciences, 158 :252-262 DOI Author 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, DOI Author Url Public Url

Tsakovska I, Pajeva I, Al Sharif M, Alov P, Fioravanzo E, Kovarich S, Worth AP, Richarz A-N, Yang C, Mostrag-Szlichtyng A, Cronin MTD. 2017. Quantitative Structure - Skin permeability Relationships Toxicology, 387 :27-42 DOI Author Url Public Url

Schultz TW, Przybylak KR, Richarz AN, Mellor CL, Bradbury SP, Cronin MTD. 2017. Read-across of 90-day rat oral repeated-dose toxicity: A case study for selected 2-alkyl-1-alkanols Computational Toxicology, 2 :28-38 DOI Public Url

Benito JVS, Paini A, Richarz A, Meinl T, Berthold MR, Cronin MTD, Worth AP. 2017. Automated workflows for modelling chemical fate, kinetics and toxicity. Toxicol In Vitro, DOI Author Url Public Url

Cassano A, Marchese Robinson RL, Palczewska A, Puzyn T, Gajewicz A, Tran L, Manganelli S, Cronin MTD. 2017. Comparing the CORAL and random forest approaches for modelling the in vitro cytotoxicity of silica nanomaterials Alternatives to the Laboratory Animals, 44 :533-556 DOI Author Url Public Url

Gajewicz A, Jagiello K, Cronin MTD, Leszczynski J, Puzyn T. 2017. Addressing a bottle neck for regulation of nanomaterials: quantitative read-across (Nano-QRA) algorithm for cases when only limited data is available Environmental Science: Nano, 4 :346-358 DOI Author Url Public Url

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, DOI Author Url Public Url

Williams FM, Rothe H, Barrett G, Chiodini A, Whyte J, Cronin MTD, Monteiro-Riviere NA, Plautz J, Roper C, Westerhout J, Yang C, Guy RH. 2016. Assessing the safety of cosmetic chemicals: Consideration of a flux decision tree to predict dermally delivered systemic dose for comparison with oral TTC (Threshold of Toxicological Concern) Regulatory Toxicology and Pharmacology, 76 :174-186 DOI Author Url

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, DOI Author Url Public Url

Ball N, Cronin MT, Shen J, Adenuga MD, Blackburn K, Booth ED, Bouhifd M, Donley E, Egnash L, Freeman JJ, Hastings C, Juberg DR, Kleensang A, Kleinstreuer N, Kroese ED, Luechtefeld T, Maertens A, Marty S, Naciff JM, Palmer J, Pamies D, Penman M, Richarz AN, Russo DP, Stuard SB, Patlewicz G, van Ravenzwaay B, Wu S, Zhu H, Hartung T. 2016. Toward Good Read-Across Practice (GRAP) guidance. ALTEX, DOI Author Url Public Url

Al Sharif M, Tsakovska I, Pajeva I, Alov P, Fioravanzo E, Bassan A, Kovarich S, Yang C, Mostrag-Szlichtyng A, Vitcheva V, Worth AP, Richarz AN, Cronin MT. 2016. The application of molecular modelling in the safety assessment of chemicals: A case study on ligand-dependent PPARγ dysregulation. Toxicology, DOI Author Url Public Url

Berggren E, Amcoff P, Benigni R, Blackburn K, Carney E, Cronin M, Deluyker H, Gautier F, Judson RS, Kass GEN, Keller D, Knight D, Lilienblum W, Mahony C, Rusyn I, Schultz T, Schwarz M, Schueuermann G, White A, Burton J, Lostia AM, Munn S, Worth A. 2015. Chemical Safety Assessment Using Read-Across: Assessing the Use of Novel Testing Methods to Strengthen the Evidence Base for Decision Making ENVIRONMENTAL HEALTH PERSPECTIVES, 123 :1232-1240 DOI Author Url Public Url

Robinson RLM, Cronin MTD, Richarz A-N, Rallo R. 2015. An ISA-TAB-Nano based data collection framework to support data-driven modelling of nanotoxicology BEILSTEIN JOURNAL OF NANOTECHNOLOGY, 6 DOI Author Url Public Url

Mellor CL, Steinmetz FP, Cronin MTD. 2015. The identification of nuclear receptors associated with hepatic steatosis to develop and extend adverse outcome pathways Critical Reviews in Toxicology, DOI Author Url Public Url

Burden N, Sewell F, Andersen ME, Boobis A, Chipman JK, Cronin MTD, Hutchinson TH, Kimber I, Whelan M. 2015. Adverse Outcome Pathways can drive non-animal approaches for safety assessment JOURNAL OF APPLIED TOXICOLOGY, 35 :971-975 DOI Author Url Public Url

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 Author Url Public Url

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 Author Url Public Url

Ellison CM, Madden J, Cronin M, 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 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 DOI Author Url Public Url

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 Author Url Public Url

Steinmetz FP, Mellor CL, Meinl T, Cronin MTD. 2015. Screening Chemicals for Receptor-Mediated Toxicological and Pharmacological Endpoints: Using Public Data to Build Screening Tools within a KNIME Workflow MOLECULAR INFORMATICS, 34 :171-178 DOI Author Url Public Url

Gajewicz A, Cronin MTD, Rasulev B, Leszczynski J, Puzyn T. 2015. Novel approach for efficient predictions properties of large pool of nanomaterials based on limited set of species: nano-read-across NANOTECHNOLOGY, 26 DOI Author Url Public Url

Golbamaki N, Rasulev B, Cassano A, Robinson RLM, Benfenati E, Leszczynski J, Cronin MTD. 2015. Genotoxicity of metal oxide nanomaterials: review of recent data and discussion of possible mechanisms NANOSCALE, 7 :2154-2198 DOI Author Url Public Url

Gocht T, Berggren E, Ahr HJ, Cotgreave I, Cronin MTD, Daston G, Hardy B, Heinzle E, Hescheler J, Knight DJ, Mahony C, Peschanski M, Schwarz M, Thomas RS, Verfaillie C, White A, Whelan M. 2015. The SEURAT-1 Approach towards Animal Free Human Safety Assessment ALTEX-ALTERNATIVES TO ANIMAL EXPERIMENTATION, 32 :9-24 DOI Author Url Public Url

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 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 :2740-2752 DOI Author Url Public Url

Tollefsen KE, Scholz S, Cronin MT, Edwards SW, de Knecht J, Crofton K, Garcia-Reyero N, Hartung T, Worth A, Patlewicz G. 2014. Applying Adverse Outcome Pathways (AOPs) to support Integrated Approaches to Testing and Assessment (IATA) REGULATORY TOXICOLOGY AND PHARMACOLOGY, 70 :629-640 DOI Author Url Public Url

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 DOI Author Url Public Url

Mellor CL, Steinmetz FP, Cronin MD. 2014. Identification of in silico structural alerts for liver steatosis induced by nuclear receptor agonists TOXICOLOGY LETTERS, DOI

Mellor CL, Cronin MD, Evenseth L, Tollesfen K-E. 2014. Integrating computational modelling of receptor binding into mechanistically based risk assessment for endocrine disruptors TOXICOLOGY LETTERS, DOI

Przybylak KR, Alzahrani AR, Cronin MTD. 2014. How Does the Quality of Phospholipidosis Data Influence the Predictivity of Structural Alerts? JOURNAL OF CHEMICAL INFORMATION AND MODELING, 54 :2224-2232 DOI Author Url

Cherkasov A, Muratov EN, Fourches D, Varnek A, Baskin II, Cronin M, Dearden J, Gramatica P, Martin YC, Todeschini R, Consonni V, Kuz'min VE, Cramer R, Benigni R, Yang C, Rathman J, Terfloth L, Gasteiger J, Richard A, Tropsha A. 2014. QSAR Modeling: Where Have You Been? Where Are You Going To? JOURNAL OF MEDICINAL CHEMISTRY, 57 :4977-5010 DOI Author Url

Schiller B, Benigni R, Boobis A, Chiodini A, Cockburn A, Cronin MTD, Lo Piparo E, Modi S, Thiel A, Worth A. 2014. Establishing the level of safety concern for chemicals in food without the need for toxicity testing (Vol 68, Pg 275, 2014) REGULATORY TOXICOLOGY AND PHARMACOLOGY, 69 :141-141 DOI Author 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

Tsakovska I, Al Sharif M, Alov P, Diukendjieva A, Fioravanzo E, Cronin MTD, Pajeva I. 2014. Molecular Modelling Study of the PPAR gamma Receptor in Relation to the Mode of Action/Adverse Outcome Pathway Framework for Liver Steatosis INTERNATIONAL JOURNAL OF MOLECULAR SCIENCES, 15 :7651-7666 DOI Author Url

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

Schilter B, Benigni R, Boobis A, Chiodini A, Cockburn A, Cronin MTD, Lo Piparo E, Modi S, Thiel A, Worth A. 2014. Establishing the level of safety concern for chemicals in food without the need for toxicity testing REGULATORY TOXICOLOGY AND PHARMACOLOGY, 68 :275-296 DOI Author Url

Patlewicz G, Ball N, Becker RA, Booth ED, Cronin MTD, Kroese D, Steup D, van Ravenzwaay B, Hartung T. 2014. Food for Thought ... Read-Across Approaches - Misconceptions, Promises and Challenges Ahead ALTEX-ALTERNATIVES TO ANIMAL EXPERIMENTATION, 31 :387-396 DOI Author Url

Patlewicz G, Ball N, Becker RA, Booth ED, Cronin MTD, Kroese D, Steup D, van Ravenzwaay B, Hartung T. 2014. Read-across approaches--misconceptions, promises and challenges ahead ALTEX, 31 :387-396 DOI

Scholz S, Sela E, Blaha L, Braunbeck T, Galay-Burgos M, Garcia-Franco M, Guinea J, Kluever N, Schirmer K, Tanneberger K, Tobor-Kaplon M, Witters H, Belanger S, Benfenati E, Creton S, Cronin MTD, Eggen RIL, Embry M, Ekman D, Gourmelon A, Halder M, Hardy B, Hartung T, Hubesch B, Jungmann D, Lampi MA, Lee L, Leonard M, Kuester E, Lillicrap A, Luckenbach T, Murk AJ, Navas JM, Peijnenburg W, Repetto G, Salinas E, Schueuermann G, Spielmann H, Tollefsen KE, Walter-Rohde S, Whale G, Wheeler JR, Winter MJ. 2013. A European perspective on alternatives to animal testing for environmental hazard identification and risk assessment REGULATORY TOXICOLOGY AND PHARMACOLOGY, 67 :506-530 DOI Author 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

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 Author Url

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

Nelms MD, Cronin MTD, Schultz TW, Enoch SJ. 2013. Experimental verification, and domain definition, of structural alerts for protein binding: epoxides, lactones, nitroso, nitros, aldehydes and ketones SAR and QSAR in Environmental Research, 24 :695-709 DOI

Pery ARR, Schueuermann G, Ciffroy P, Faust M, Backhaus T, Aicher L, Mombelli E, Tebby C, Cronin MTD, Tissot S, Andres S, Brignon JM, Frewer L, Georgiou S, Mattas K, Vergnaud JC, Peijnenburg W, Capri E, Marchis A, Wilks MF. 2013. Perspectives for integrating human and environmental risk assessment and synergies with socio-economic analysis SCIENCE OF THE TOTAL ENVIRONMENT, 456 :307-316 DOI Author 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

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

Cronin MTD. 2013. International QSAR Award Winner 2012: Prof Terry Wayne Schultz SAR AND QSAR IN ENVIRONMENTAL RESEARCH, 24 :521-523 DOI Author Url

Cronin MTD. 2013. Computational Toxicology is Now Inseparable from Experimental Toxicology ATLA-ALTERNATIVES TO LABORATORY ANIMALS, 41 :1-4 DOI Author 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

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

Cronin MTD. 2013. The state of the art and future directions of category formation and read-across for toxicity prediction Issues in Toxicology, :168-179

Cronin MTD. 2013. Evaluation of categories and read-across for toxicity prediction allowing for regulatory acceptance Issues in Toxicology, :155-167

Cronin MTD. 2013. International QSAR Award winner 2012: Prof Terry Wayne Schultz. SAR and QSAR in environmental research, 24 :255-257 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 Author Url

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

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

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

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 OPINION ON DRUG METABOLISM & TOXICOLOGY, 7 :1481-1495 DOI Author 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

Przybylak KR, Cronin MTD. 2011. In Silico Studies of the Relationship Between Chemical Structure and Drug Induced Phospholipidosis MOLECULAR INFORMATICS, 30 :415-429 DOI Author Url

Adler S, Basketter D, Creton S, Pelkonen O, van Benthem J, Zuang V, Andersen KE, Angers-Loustau A, Aptula A, Bal-Price A, Benfenati E, Bernauer U, Bessems J, Bois FY, Boobis A, Brandon E, Bremer S, Broschard T, Casati S, Coecke S, Corvi R, Cronin M, Daston G, Dekant W, Felter S, Grignard E, Gundert-Remy U, Heinonen T, Kimber I, Kleinjans J, Komulainen H, Kreiling R, Kreysa J, Leite SB, Loizou G, Maxwell G, Mazzatorta P, Munn S, Pfuhler S, Phrakonkham P, Piersma A, Poth A, Prieto P, Repetto G, Rogiers V, Schoeters G, Schwarz M, Serafimova R, Tahti H, Testai E, van Delft J, van Loveren H, Vinken M, Worth A, Zaldivar J-M. 2011. Alternative (non-animal) methods for cosmetics testing: current status and future prospects-2010 ARCHIVES OF TOXICOLOGY, 85 :367-485 DOI Author 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

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

Bajot F, Cronin MTD, Roberts DW, Schultz TW. 2011. Reactivity and aquatic toxicity of aromatic compounds transformable to quinone-type Michael acceptors SAR AND QSAR IN ENVIRONMENTAL RESEARCH, 22 :51-65 DOI Author Url

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

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

Przybylak KR, Cronin MTD. 2010. Correlation between bond dissociation energies and spin distribution for the radicals of ethers: A DFT study JOURNAL OF MOLECULAR STRUCTURE-THEOCHEM, 955 :165-170 DOI Author Url

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

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

Cronin MTD. 2010. Finding the Data to Develop and Evaluate (Q)SARs and populate categories for toxicity prediction Issues in Toxicology, :31-58

Cronin MTD. 2010. Characterisation, evaluation and possible validation of in silico models for toxicity: Determining if a prediction is valid Issues in Toxicology, :275-300

Cronin MTD. 2010. Biological read-across: Mechanistically-based species-species and endpoint endpoint extrapolations Issues in Toxicology, :446-477

Cronin MTD. 2009. In Silico Toxicology Challenges for Pharmaceuticals: Complacency or Controversy? ATLA-ALTERNATIVES TO LABORATORY ANIMALS, 37 :453-456 DOI Author Url

Vonk JA, Benigni R, Hewitt M, Nendza M, Segner H, van de Meent D, Cronin MTD. 2009. The Use of Mechanisms and Modes of Toxic Action in Integrated Testing Strategies: The Report and Recommendations of a Workshop held as part of the European Union OSIRIS Integrated Project ATLA-ALTERNATIVES TO LABORATORY ANIMALS, 37 :557-571 DOI Author Url

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

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

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

Dearden JC, Cronin MTD, Broohm JK. 2009. A new QSAR model for human skin permeability JOURNAL OF PHARMACY AND PHARMACOLOGY, 61 :A51-A52 Author 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

Cronin MTD, Garrod JF, Balls M. 2008. Development of Integrated Testing Strategies for REACH: Motivation, Background and Introduction ATLA-ALTERNATIVES TO LABORATORY ANIMALS, 36 :I-III DOI Author Url

Grindon C, Combes R, Cronin MTD, RobertS DW, Garrod JF. 2008. Integrated Testing Strategies for Use with Respect to the Requirements of the EU REACH Legislation ATLA-ALTERNATIVES TO LABORATORY ANIMALS, 36 :7-27 DOI Author Url

Grindon C, Combes R, Cronin MTD, Roberts DW, Garrod JF. 2008. Integrated Decision-tree Testing Strategies for Environmental Toxicity With Respect to the Requirements of the EU REACH Legislation ATLA-ALTERNATIVES TO LABORATORY ANIMALS, 36 :29-42 DOI Author Url

Cornbes R, Grindon C, Cronin MTD, Roberts DW, Garrod JF. 2008. Integrated Decision-tree Testing Strategies for Mutagenicity and Carcinogenicity with Respect to the Requirements of the EU REACH Legislation ATLA-ALTERNATIVES TO LABORATORY ANIMALS, 36 :43-63 DOI Author Url

Grindon C, Combes R, Cronin MTD, Roberts DW, Garrod JF. 2008. Integrated Decision-tree Testing Strategies for Skin Corrosion and Irritation with Respect to the Requirements of the EU REACH Legislation ATLA-ALTERNATIVES TO LABORATORY ANIMALS, 36 :65-74 Author Url

Grindon C, Combes R, Cronin MTD, Roberts DW, Garrod JF. 2008. An Integrated Decision-tree Testing Strategy for Skin Sensitisation with Respect to the Requirements of the EU REACH Legislation ATLA-ALTERNATIVES TO LABORATORY ANIMALS, 36 :75-89 DOI Author Url

Cornbes R, Grindon C, Cronin MTD, Roberts DW, Garrod JF. 2008. Integrated Decision-tree Testing Strategies for Acute Systemic Toxicity and Toxicokinetics with Respect to the Requirements of the EU REACH Legislation ATLA-ALTERNATIVES TO LABORATORY ANIMALS, 36 :91-109 DOI Author Url

Grindon C, Combes R, Cronin MTD, Roberts DW, Garrod JF. 2008. An Integrated Decision-tree Testing Strategy for Eye irritation with Respect to the Requirements of the EU REACH Legislation ATLA-ALTERNATIVES TO LABORATORY ANIMALS, 36 :111-122 DOI Author Url

Grindon C, Combes R, Cronin MTD, RobertS DW, Garrod JF. 2008. Integrated Decision-tree Testing Strategies for Developmental and Reproductive Toxicity with Respect to the Requirements of the EU REACH Legislation ATLA-ALTERNATIVES TO LABORATORY ANIMALS, 36 :123-138 DOI Author Url

Grindon C, Cornbes R, Cronin MTD, Roberts DW, Garrod JF. 2008. An Integrated Decision-tree Testing Strategy for Repeat Dose Toxicity with Respect-to the Requirements of the EU REACH Legislation ATLA-ALTERNATIVES TO LABORATORY ANIMALS, 36 :139-147 DOI Author Url

Bouwman T, Cronin MTD, Bessems JGM, van de Sandt JJM. 2008. Improving the applicability of (Q)SARs for percutaneous penetration in regulatory risk assessment HUMAN & EXPERIMENTAL TOXICOLOGY, 27 :269-276 DOI Author Url

Sagrado S, Cronin MTD. 2008. Application of the modelling power approach to variable subset selection for GA-PLS QSAR models ANALYTICA CHIMICA ACTA, 609 :169-174 DOI Author Url

Combes R, Grindon C, Cronin MTD, Roberts DW, Garrod JF. 2008. Integrated decision-tree testing strategies for acute systemic toxicity and Toxicokinetics with respect to the requirements of the EU REACH legislation ATLA-ALTERNATIVES TO LABORATORY ANIMALS, 36 :45-63 DOI Author Url

Grindon C, Combes R, Cronin MTD, Roberts DW, Garrod JF. 2008. Integrated decision-tree testing strategies for developmental and reproductive toxicity with respect to the requirements of the EU REACH legislation ATLA-ALTERNATIVES TO LABORATORY ANIMALS, 36 :65-80 Author Url

Grindon C, Combes R, Cronin MTD, Roberts DW, Garrod JF. 2008. An integrated decision-tree testing strategy for eye irritation with respect to the requirements of the EU REACH legislation ATLA-ALTERNATIVES TO LABORATORY ANIMALS, 36 :81-92 DOI Author Url

Grindon C, Combes R, Cronin MTD, Roberts DW, Garrod JF. 2008. An integrated decision-tree testing strategy for repeat dose toxicity with respect to the requirements of the EU REACH legislation ATLA-ALTERNATIVES TO LABORATORY ANIMALS, 36 :93-101 DOI Author Url

Cronin MTD, Worth AP. 2008. (Q)SARs for predicting effects relating to reproductive toxicity QSAR & COMBINATORIAL SCIENCE, 27 :91-100 DOI Author Url

Grindon C, Combes R, Cronin MTD, Roberts DW, Garrod JF. 2007. Integrated decision-tree testing strategies for skin corrosion and irritation with respect to the requirements of the EU REACH legislation ATLA-ALTERNATIVES TO LABORATORY ANIMALS, 35 :673-682 DOI Author Url

Grindon C, Combes R, Cronin MTD, Roberts DW, Garrod JF. 2007. An integrated decision-tree testing strategy for skin sensitisation with respect to the requirements of the EU REACH legislation ATLA-ALTERNATIVES TO LABORATORY ANIMALS, 35 :683-697 DOI Author 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

Combes R, Grindon C, Cronin MTD, Roberts DW, Garrod J. 2007. Proposed integrated decision-tree testing strategies for mutagenicity and carcinogenicity in relation to the EU REACH legislation ATLA-ALTERNATIVES TO LABORATORY ANIMALS, 35 :267-287 DOI Author Url

Neagu DC, Guo G, Trundle PR, Cronin MTD. 2007. A comparative study of machine learning algorithms applied to predictive toxicology data mining ATLA-ALTERNATIVES TO LABORATORY ANIMALS, 35 :25-32 DOI Author Url

Schultz TW, Hewitt M, Netzeva TI, Cronin MTD. 2007. Assessing applicability domains of toxicological QSARs: Definition, confidence in predicted values, and the role of mechanisms of action QSAR & COMBINATORIAL SCIENCE, 26 :238-254 DOI Author Url

Valko M, Leibfritz D, Moncol J, Cronin MTD, Mazur M, Telser J. 2007. Free radicals and antioxidants in normal physiological functions and human disease INTERNATIONAL JOURNAL OF BIOCHEMISTRY & CELL BIOLOGY, 39 :44-84 DOI Author Url

Dearden JC, Cronin MTD, Lappin DC. 2007. A comparison of commercially available software for the prediction of pKa JOURNAL OF PHARMACY AND PHARMACOLOGY, 59 :A7-A7 Author Url

Grindon C, Combes R, Cronin MTD, Roberts DW, Garrod J. 2006. Integrated decision-tree testing strategies for environmental toxicity with respect to the requirements of the EU REACH legislation ATLA-ALTERNATIVES TO LABORATORY ANIMALS, 34 :651-664 DOI Author Url

Cronin MTD. 2006. The Role of Hydrophobicity in Toxicity Prediction CURRENT COMPUTER-AIDED DRUG DESIGN, 2 :405-413 DOI Author Url

Ghafourian T, Cronin MTD. 2006. The effect of variable selection on the non-linear modelling of oestrogen receptor binding QSAR & COMBINATORIAL SCIENCE, 25 :824-835 DOI Author Url

Bermudez-Saldana JM, Cronin MTD. 2006. Quantitative structure-activity relationships for the toxicity of organophosphorus and carbamate pesticides to the Rainbow trout Onchorhyncus mykiss PEST MANAGEMENT SCIENCE, 62 :819-831 DOI Author Url

Schultz TW, Carlson RE, Cronin MTD, Hermens JLM, Johnson R, O'Brien PJ, Roberts DW, Siraki A, Wallace KB, Veith GD. 2006. A conceptual framework for predicting the toxicity of reactive chemicals: modeling soft electrophilicity SAR AND QSAR IN ENVIRONMENTAL RESEARCH, 17 :413-428 DOI Author Url

Grindon C, Combes R, Cronin MTD, Roberts DW, Garrod JF. 2006. Integrated testing strategies for use in the EU REACH system ATLA-ALTERNATIVES TO LABORATORY ANIMALS, 34 :407-427 DOI Author Url

Mazzatorta P, Cronin MTD, Benfenati E. 2006. A QSAR study of avian oral toxicity using support vector machines and genetic algorithms QSAR & COMBINATORIAL SCIENCE, 25 :616-628 DOI Author Url

Vracko M, Bandelj V, Barbieri P, Benfenati E, Chaudhry Q, Cronin M, Devillers J, Gallegos A, Gini G, Gramatica P, Helma C, Mazzatorta P, Neagu D, Netzeva T, Pavan M, Patlewicz G, Randic M, Tsakovska I, Worth A. 2006. Validation of counter propagation neural network models for predictive toxicology according to the OECD principles: a case study SAR AND QSAR IN ENVIRONMENTAL RESEARCH, 17 :265-284 DOI Author Url

Sagrado S, Cronin MTD. 2006. Diagnostic tools to determine the quality of "transparent" regression-based QSARs: The "modelling power" plot JOURNAL OF CHEMICAL INFORMATION AND MODELING, 46 :1523-1532 DOI Author Url

Grindon C, Combes R, Cronin MTD, Roberts DW, Garrod J. 2006. A review of the status of alternative approaches to animal testing and the development of integrated testing strategies for assessing the toxicity of chemicals under REACH - A summary of a DEFRA-funded project conducted by Liverpool John Moores University and FRAME ATLA Alternatives to Laboratory Animals, 34 :149-158 Author Url

Demyttenaere-Kovatcheva A, Cronin MTD, Benfenati E, Roncaglioni A, LoPiparo E. 2005. Identification of the structural requirements of the receptor-binding affinity of diphenolic azoles to estrogen receptors alpha and beta by three-dimensional quantitative structure-activity relationship and structure-activity relationship analysis JOURNAL OF MEDICINAL CHEMISTRY, 48 :7628-7636 DOI Author Url

Aptula AO, Roberts DW, Cronin MTD, Schultz TW. 2005. Chemistry-toxicity relationships for the effects of Di-and trihydroxybenzenes to Tetrahymena pyriformis CHEMICAL RESEARCH IN TOXICOLOGY, 18 :844-854 DOI Author Url

Aptula AO, Jeliazkova NG, Schultz TW, Cronin MTD. 2005. The better predictive model: High q(2) for the training set or low root mean square error of prediction for the test set? QSAR & COMBINATORIAL SCIENCE, 24 :385-396 DOI Author Url

Netzeva TI, Worth AP, Aldenberg T, Benigni R, Cronin MTD, Gramatica P, Jaworska JS, Kahn S, Klopman G, Marchant CA, Myatt G, Nikolova-Jeliazkova N, Patlewicz GY, Perkins R, Roberts DW, Schultz TW, Stanton DT, van de Sandt JJM, Tong WD, Veith G, Yang CH. 2005. Current status of methods for defining the applicability domain of (quantitative) structure-activity relationships - The report and recommendations of ECVAM Workshop 52 ATLA-ALTERNATIVES TO LABORATORY ANIMALS, 33 :155-173 DOI Author Url

Aptula AO, Roberts DW, Cronin MTD. 2005. From experiment to theory: Molecular orbital parameters to interpret the skin sensitization potential of 5-chloro-2-methylisothiazol-3-one and 2-methylisothiazol-3-one CHEMICAL RESEARCH IN TOXICOLOGY, 18 :324-329 DOI Author Url

Schultz TW, Netzeva TI, Roberts DW, Cronin MTD. 2005. Structure-toxicity relationships for the effects to tetrahymena pyriformis of aliphatic, carbonyl-containing, alpha,beta-unsaturated chemicals CHEMICAL RESEARCH IN TOXICOLOGY, 18 :330-341 DOI Author Url

Lessigiarska I, Pajeva I, Cronin MTD, Worth AP. 2005. 3D QSAR investigation of the blood-brain barrier penetration of chemical compounds SAR AND QSAR IN ENVIRONMENTAL RESEARCH, 16 :79-91 DOI Author Url

Ghafourian T, Cronin MTD. 2005. The impact of variable selection on the modelling of oestrogenicity SAR AND QSAR IN ENVIRONMENTAL RESEARCH, 16 :171-190 DOI Author Url

Valko M, Morris H, Cronin MTD. 2005. Metals, toxicity and oxidative stress CURRENT MEDICINAL CHEMISTRY, 12 :1161-1208 DOI Author Url

Netzeva TI, Aptula AO, Benfenati E, Cronin MTD, Gini G, Lessigiarska I, Maran U, Vracko M, Schuurmann G. 2005. Description of the electronic structure of organic chemicals using semiempirical and ab initio methods for development of toxicological QSARs JOURNAL OF CHEMICAL INFORMATION AND MODELING, 45 :106-114 DOI Author Url

Mandich A, Benfenati E, Cronin MTD, Goksoyr A, Grosvik BE, Kloas W, Van Cauwenberge A, Vigano L. 2005. Environmental agent susceptibility assessment using existing and novel biomarkers as rapid noninvasive testing methods Vaudry H, Roubos E, Schoofs L, Fiik G, Larhammar D. TRENDS IN COMPARATIVE ENDOCRINOLOGY AND NEUROBIOLOGY, 1040 :381-386 DOI Author Url

Ghafourian T, Cronin MTD. 2004. Comparison of electrotopological-state indices versus atomic charge and superdelocalisability indices in a QSAR study of the receptor binding properties of halogenated estradiol derivatives MOLECULAR DIVERSITY, 8 :343-355 DOI Author 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

Schultz TW, Netzeva TI, Cronin MTD. 2004. Evaluation of QSARs for ecotoxicity: A method for assigning quality and confidence SAR AND QSAR IN ENVIRONMENTAL RESEARCH, 15 :385-397 DOI Author Url

Aptula AO, Cronin MTD. 2004. Prediction of herg K+ blocking potency: Application of structural knowledge SAR AND QSAR IN ENVIRONMENTAL RESEARCH, 15 :399-411 DOI Author Url

Ghafourian T, Cronin MTD. 2004. The endocrine disrupting activity of pesticides Outlooks on Pest Management, 15 :211-214 DOI

Ghafourian T, Barzegar-Jalali M, Hakimiha N, Cronin MTD. 2004. Quantitative structure-pharmacokinetic relationship modelling: apparent volume of distribution JOURNAL OF PHARMACY AND PHARMACOLOGY, 56 :339-350 DOI Author Url

Jaworska JS, Cronin M, Eriksson L, Comber M. 2004. Validation of (Q)SARs models: Jaworska et al.'s response ENVIRONMENTAL HEALTH PERSPECTIVES, 112 :A86-A87 DOI Author Url

Kaiser KLE, Jaworska JS, Cronin M, Eriksson L, Comber M. 2004. Validation of (Q)SARs models (multiple letters) [4] Environmental Health Perspectives, 112 DOI Author Url

Netzeva TI, Schultz TW, Aptula AO, Cronin MTD. 2003. Partial least squares modelling of the acute toxicity of aliphatic compounds to Tetrahymena pyriformis SAR AND QSAR IN ENVIRONMENTAL RESEARCH, 14 :265-283 DOI Author 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

Eriksson L, Jaworska J, Worth AP, Cronin MTD, McDowell RM, Gramatica P. 2003. Methods for reliability and uncertainty assessment and for applicability evaluations of classification- and regression-based QSARs ENVIRONMENTAL HEALTH PERSPECTIVES, 111 :1361-1375 DOI Author Url Public Url

Cronin MTD, Walker JD, Jaworska JS, Comber MHI, Watts CD, Worth AP. 2003. Use of QSARs in international decision-making frameworks to predict ecologic effects and environmental fate of chemical substances ENVIRONMENTAL HEALTH PERSPECTIVES, 111 :1376-1390 DOI Author Url Public Url

Cronin MTD, Jaworska JS, Walker JD, Comber MHI, Watts CD, Worth AP. 2003. Use of QSARs in international decision-making frameworks to predict health effects of chemical substances ENVIRONMENTAL HEALTH PERSPECTIVES, 111 :1391-1401 DOI Author Url Public Url

Hamblen EL, Cronin MTD, Schultz TW. 2003. Estrogenicity and acute toxicity of selected anilines using a recombinant yeast assay CHEMOSPHERE, 52 :1173-1181 DOI Author Url

Saliner AG, Amat L, Carbo-Dorca R, Schultz TW, Cronin MTD. 2003. Molecular quantum similarity analysis of estrogenic activity JOURNAL OF CHEMICAL INFORMATION AND COMPUTER SCIENCES, 43 :1166-1176 DOI Author Url

Aptula AO, Kuhne R, Ebert RU, Cronin MTD, Netzeva TI, Schuurmann G. 2003. Modeling discrimination between antibacterial and non-antibacterial activity based on 3D molecular descriptors QSAR & COMBINATORIAL SCIENCE, 22 :113-128 DOI Author Url

Worgan ADP, Dearden JC, Edwards R, Netzeva TI, Cronin MTD. 2003. Evaluation of a novel short-term algal toxicity assay by the development of QSARs and inter-species relationships for narcotic chemicals QSAR & COMBINATORIAL SCIENCE, 22 :204-209 DOI Author 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

Schultz TW, Cronin MTD, Walker JD, Aptula AO. 2003. Quantitative structure-activity relationships (QSARs) in toxicology: a historical perspective JOURNAL OF MOLECULAR STRUCTURE-THEOCHEM, 622 :1-22 DOI Author Url

Schultz TW, Cronin MTD, Netzeva TI. 2003. The present status of QSAR in toxicology JOURNAL OF MOLECULAR STRUCTURE-THEOCHEM, 622 :23-38 DOI Author Url

Cronin MTD, Schultz TW. 2003. Pitfalls in QSAR JOURNAL OF MOLECULAR STRUCTURE-THEOCHEM, 622 :39-51 DOI Author Url

Worth AP, Cronin MTD. 2003. The use of discriminant analysis, logistic regression and classification tree analysis in the development of classification models for human health effects JOURNAL OF MOLECULAR STRUCTURE-THEOCHEM, 622 :97-111 DOI Author Url

Schultz TW, Cronin MTD. 2003. Essential and desirable characteristics of ecotoxicity quantitative structure-activity relationships ENVIRONMENTAL TOXICOLOGY AND CHEMISTRY, 22 :599-607 DOI Author Url

Schultz TW, Cronin MTD. 2003. Essential and desirable characteristics of ecotoxicity quantitative structure-activity relationships Environmental Toxicology and Chemistry, 22 :599-607 DOI

Cronin M. 2003. Toxicology - A toxic gamble CHEMISTRY & INDUSTRY, :13-14 Author Url

Cronin M. 2003. A toxic gamble Chemistry and Industry (London), :13-14

Schultz TW, Netzeva TI, Cronin MTD. 2003. Selection of data sets for QSARs: Analyses of Tetrahymena toxicity from aromatic compounds SAR AND QSAR IN ENVIRONMENTAL RESEARCH, 14 :59-81 DOI Author Url

Bundy JG, Maciel H, Cronin MTD, Paton GI. 2003. Limitations of a cosolvent for ecotoxicity testing of hydrophobic compounds BULLETIN OF ENVIRONMENTAL CONTAMINATION AND TOXICOLOGY, 70 :1-8 DOI Author Url

Cronin MTD. 2003. Computer-aided prediction of drug toxicity and metabolism. EXS, :259-278 DOI Author Url

Schultz TW, Cronin MTD, Netzeva TI, Aptula AO. 2002. Structure-toxicity relationships for aliphatic chemicals evaluated with Tetrahymena pyriformis CHEMICAL RESEARCH IN TOXICOLOGY, 15 :1602-1609 DOI Author Url

Patel H, Schultz TW, Cronin MTD. 2002. Physico-chemical interpretation and prediction of the dimyristoyl phosphatidyl choline-water partition coefficient JOURNAL OF MOLECULAR STRUCTURE-THEOCHEM, 593 :9-18 DOI Author Url

Patel H, ten Berge W, Cronin MTD. 2002. Quantitative structure-activity relationships (QSARs) for the prediction of skin permeation of exogenous chemicals CHEMOSPHERE, 48 :603-613 DOI Author Url

Aptula AO, Netzeva TI, Valkova IV, Cronin MTD, Schultz TW, Kühne R, Schüürmann G. 2002. Multivariate discrimination between modes of toxic action of phenols Quantitative Structure-Activity Relationships, 21 :12-22 DOI

Moss GP, Cronin MTD. 2002. Quantitative structure-permeability relationships for percutaneous absorption: re-analysis of steroid data INTERNATIONAL JOURNAL OF PHARMACEUTICS, 238 :105-109 DOI Author Url

Aptula AO, Netzeva TI, Valkova IV, Cronin MTD, Schultz TW, Kuhne R, Schuurmann G. 2002. Multivariate discrimination between modes of toxic action of phenols QUANTITATIVE STRUCTURE-ACTIVITY RELATIONSHIPS, 21 :12-22 DOI Author Url

Schultz TW, Sinks GD, Cronin MTD. 2002. Structure-activity relationships for gene activation oestrogenicity: Evaluation of a diverse set of aromatic chemicals ENVIRONMENTAL TOXICOLOGY, 17 :14-23 DOI Author Url

Seward JR, Cronin MTD, Schultz TW. 2002. The effect of precision of molecular orbital descriptors on toxicity modeling of selected pyridines SAR AND QSAR IN ENVIRONMENTAL RESEARCH, 13 :325-340 DOI Author Url

Worth AP, Cronin MTD. 2001. The use of pH measurements to predict the potential of chemicals to cause acute dermal and ocular toxicity TOXICOLOGY, 169 :119-131 DOI Author Url

Patel H, Cronin MTD. 2001. A Novel Index for the Description of Molecular Linearity Journal of Chemical Information and Computer Sciences, 41 :1228-1236

Cronin MTD, Manga N, Seward JR, Sinks GD, Schultz TW. 2001. Parametrization of electrophilicity for the prediction of the toxicity of aromatic compounds CHEMICAL RESEARCH IN TOXICOLOGY, 14 :1498-1505 DOI Author Url

Patel H, Cronin MTD. 2001. A novel index for the description of molecular linearity JOURNAL OF CHEMICAL INFORMATION AND COMPUTER SCIENCES, 41 :1228-1236 DOI Author Url

Cronin MTD, Schultz TW. 2001. Development of quantitative structure-activity relationships for the toxicity of aromatic compounds to Tetrahymena pyriformis: Comparative assessment of the methodologies CHEMICAL RESEARCH IN TOXICOLOGY, 14 :1284-1295 DOI Author Url

Worth AP, Cronin MTD. 2001. Prediction models for eye irritation potential based on endpoints of the HETCAM and neutral red uptake tests IN VITRO & MOLECULAR TOXICOLOGY-A JOURNAL OF BASIC AND APPLIED RESEARCH, 14 :143-156 DOI Author Url

Worth AP, Cronin MTD. 2001. The use of bootstrap resampling to assess the variability of Draize tissue scores ATLA-ALTERNATIVES TO LABORATORY ANIMALS, 29 :557-573 DOI Author Url

Worth AP, Cronin MTD. 2001. The use of bootstrap resampling to assess the uncertainty of Cooper statistics. ATLA-ALTERNATIVES TO LABORATORY ANIMALS, 29 :447-459 DOI Author Url

Seward JR, Cronin MTD, Schultz TW. 2001. Structure-toxicity analyses of Tetrahymena pyriformis exposed to pyridines - An examination into extension of surface-response domains SAR AND QSAR IN ENVIRONMENTAL RESEARCH, 11 :489-512 DOI Author Url

Dearden JC, Cronin MTD, Patel H, Raevsky OA. 2000. QSAR prediction of human skin permeability coefficients Journal of Pharmacy and Pharmacology, 52 :221

Dearden JC, Cronin MTD, Abdullah SM. 2000. QSAR investigation of inhibition of carbonic anhydrase by arylureido-substituted sulphonamides Journal of Pharmacy and Pharmacology, 52 :219

Schultz TW, Sinks GD, Cronin MTD. 2000. Effect of substituent size and dimensionality on potency of phenolic xenoestrogens evaluated with a recombinant yeast assay ENVIRONMENTAL TOXICOLOGY AND CHEMISTRY, 19 :2637-2642 DOI Author Url

Tran TT, Cronin MTD, Dearden JC, Morris H. 2000. Determination of anti-oxidant activity by electron spin resonance spectroscopy PEST MANAGEMENT SCIENCE, 56 :818-820 DOI Author Url

Cronin MTD. 2000. Computational methods for the prediction of drug toxicity Current Opinion in Drug Discovery and Development, 3 :292-297 Author Url

Cronin MTD, Zhao YH, Yu RL. 2000. PH-dependence and QSAR analysis of the toxicity of phenols and anilines to daphnia magna Environmental Toxicology, 15 :140-148 DOI

Cronin MTD, Zhao YH, Yu RL. 2000. pH-dependence and QSAR analysis of the toxicity of phenols and anilines to Daphnia magna ENVIRONMENTAL TOXICOLOGY, 15 :140-148 DOI Author Url

Worth AP, Cronin MTD. 2000. Structure-permeability relationships for transcorneal penetration ATLA-ALTERNATIVES TO LABORATORY ANIMALS, 28 :403-413 DOI Author Url

Dearden JC, Cronin MTD, Zhao YH, Raevsky OA. 2000. QSAR studies of compounds acting by polar and non-polar narcosis: An examination of the role of polarisability and hydrogen bonding QUANTITATIVE STRUCTURE-ACTIVITY RELATIONSHIPS, 19 :3-9 DOI Author Url

Cronin MTD, Bowers GS, Sinks GD, Schultz TW. 2000. Structure-toxicity relationships for aliphatic compounds encompassing a variety of mechanisms of toxic action to Vibrio fischeri SAR AND QSAR IN ENVIRONMENTAL RESEARCH, 11 :301-312 DOI Author 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

Palit P, Dearden JC, Cronin MTD, Sandhu M. 1999. QSAR study of some antidiabetic sulphonylureas and thiazolidiones Journal of Pharmacy and Pharmacology, 51 :259

Dearden JC, Cronin MTD, Thomas GR. 1999. QSAR correlation of COX1/COX2 selectivity of some 1,2-diarylimidazoles Journal of Pharmacy and Pharmacology, 51 :267

Dearden JC, Cronin MTD, Shah S. 1999. QSAR investigation of antimalarial activity and cytotoxicity of some quassinoids Journal of Pharmacy and Pharmacology, 51 :266

Worth AP, Cronin MTD. 1999. Embedded Cluster Modelling - A novel method for analysing embedded data sets QUANTITATIVE STRUCTURE-ACTIVITY RELATIONSHIPS, 18 :229-235 DOI Author Url

Worth AP, Cronin MTD. 1999. Embedded cluster modelling - A novel method for analysing embedded data sets Quantitative Structure-Activity Relationships, 18 :229-235 DOI

Schultz TW, Cronin MTD. 1999. Response-surface analyses for toxicity to Tetrahymena pyriformis: Reactive carbonyl-containing aliphatic chemicals JOURNAL OF CHEMICAL INFORMATION AND COMPUTER SCIENCES, 39 :304-309 DOI Author Url

Dearden JC, Cronin MTD, Aivaliotelis P. 1998. QSAR prediction of pharmacological classification using principal components analysis Journal of Pharmacy and Pharmacology, 50 :249 DOI

Dearden JC, Cronin MTD, Suleiman F. 1998. QSAR correlation of clinical gastric irritancy of non-steroidal anti-inflammatory drugs Journal of Pharmacy and Pharmacology, 50 :107 DOI

Powell M, Moss GP, Gilkes JW, Cronin MTD. 1998. Determination of bleomycin in bioadhesive formulations by gradient-elution HPLC Journal of Pharmacy and Pharmacology, 50 :91 DOI

Cronin MTD, Gregory BW, Schultz TW. 1998. Quantitative structure-activity analyses of nitrobenzene toxicity to Tetrahymena pyriformis CHEMICAL RESEARCH IN TOXICOLOGY, 11 :902-908 DOI Author Url

Zhao YH, Ji GD, Cronin MT, Dearden JC. 1998. QSAR study of the toxicity of benzoic acids to Vibrio fischeri, Daphnia magna and carp. Sci Total Environ, 216 :205-215 DOI Author Url

Zhao YH, Cronin MTD, Dearden JC. 1998. Quantitative structure-activity relationships of chemicals acting by non-polar narcosis - Theoretical considerations QUANTITATIVE STRUCTURE-ACTIVITY RELATIONSHIPS, 17 :131-138 DOI Author Url

Cronin MTD, Schultz TW. 1998. Structure-toxicity relationships for three mechanisms of action of toxicity to Vibrio fischeri ECOTOXICOLOGY AND ENVIRONMENTAL SAFETY, 39 :65-69 DOI Author Url

Dearden JC, Cronin MTD, Higgins C, Mottram DR, Kapur H. 1998. QSAR study of the α1-adrenoceptor antagonist activity of WB4101 derivatives Pharmacy and Pharmacology Communications, 4 :89-93

Cronin MTD. 1998. Computer-aided prediction of drug toxicity in high throughput screening Pharmacy and Pharmacology Communications, 4 :157-163

Schultz TW, Sinks GD, Cronin MTD. 1997. Quinone-induced toxicity to Tetrahymena: structure-activity relationships AQUATIC TOXICOLOGY, 39 :267-278 DOI Author Url

Cronin MTD, Schultz TW. 1997. Validation of Vibrio fisheri acute toxicity data: mechanism of action-based QSARs for non-polar narcotics and polar narcotic phenols SCIENCE OF THE TOTAL ENVIRONMENT, 204 :75-88 DOI Author Url

Dearden JC, Barratt MD, Benigni R, Bristol DW, Combes RD, Cronin MTD, Judson PN, Payne MP, Richard AM, Tichy M, Worth AP, Yourick JJ. 1997. The development and validation of expert systems for predicting toxicity - The report and recommendations of an ECVAM/ECB workshop (ECVAM workshop 24) ATLA-ALTERNATIVES TO LABORATORY ANIMALS, 25 :223-252 Author Url

Mahmud R, Tingle MD, Maggs JL, Cronin MT, Dearden JC, Park BK. 1997. Structural basis for the haemotoxicity of dapsone: the importance of the sulphonyl group. Toxicology, 117 :1-11 DOI Author Url

Cronin MTD, Dearden JC. 1997. Correspondence analysis of the skin sensitization potential of organic chemicals QUANTITATIVE STRUCTURE-ACTIVITY RELATIONSHIPS, 16 :33-37 DOI Author Url

Schultz TW, Cronin MTD. 1997. Quantitative structure - Activity relationships for weak acid respiratory uncouplers to Vibrio fisheri ENVIRONMENTAL TOXICOLOGY AND CHEMISTRY, 16 :357-360 DOI Author Url

Schultz TW, Cronin MTD. 1997. Quantitative structure-activity relationships for weak acid respiratory uncouplers to Vibrio fisheri Environmental Toxicology and Chemistry, 16 :357-360 DOI

Cronin MTD, Dearden JC. 1997. Multivariate analysis and neural network. Correspondence analysis of the skin sensitization potential of organic chemicals Quantitative Structure-Activity Relationships, 16 :341-344

deSilva O, Basketter DA, Barratt MD, Corsini E, Cronin MTD, Das PK, Degwert J, Enk A, Garrigue JL, Hauser C, Kimber I, Lepoittevin JP, Peguet J, Ponec M. 1996. Alternative methods for skin sensitisation testing - The report and recommendations of ECVAM Workshop 19 ATLA-ALTERNATIVES TO LABORATORY ANIMALS, 24 :683-705 Author Url

Cronin MTD. 1996. Quantitative structure-activity relationship (QSAR) analysis of the acute sublethal neurotoxicity of solvents TOXICOLOGY IN VITRO, 10 :103-110 DOI Author Url

Cronin MTD, Schultz TW. 1996. Structure-toxicity relationships for phenols to Tetrahymena pyriformis CHEMOSPHERE, 32 :1453-1468 DOI Author Url

Cronin MT. 1996. The use of cluster significance analysis to identify asymmetric QSAR data sets in toxicology. An example with eye irritation data. SAR and QSAR in environmental research, 5 :167-175 DOI Author Url

Cronin MTD, Dearden JC. 1995. QSAR in toxicology .4. Prediction of non-lethal mammalian toxicological endpoints, and expert systems for toxicity prediction QUANTITATIVE STRUCTURE-ACTIVITY RELATIONSHIPS, 14 :518-523 DOI Author Url

Dearden JC, Cronin MTD, Schultz TW, Lin DT. 1995. QSAR study of the toxicity of nitrobenzenes to Tetrahymena pyriformis QUANTITATIVE STRUCTURE-ACTIVITY RELATIONSHIPS, 14 :427-432 DOI Author Url

Cousins IT, Watts CD, Cronin MTD, Dearden JC. 1995. Use of molecular similarity indices for QSAR training set selection SAR and QSAR in Environmental Research, 3 :279-292 DOI

Cronin MTD, Dearden JC. 1995. QSAR in toxicology .3. Prediction of chronic toxicities QUANTITATIVE STRUCTURE-ACTIVITY RELATIONSHIPS, 14 :329-334 DOI Author Url

Cronin DMT, Dearden JC. 1995. Quantitative structure-activity study of the toxicity of benzonitriles to the ciliate tetrahymena pyriformis SAR and QSAR in Environmental Research, 3 :1-13 DOI Author Url

CRONIN MTD, DEARDEN JC. 1995. QSAR IN TOXICOLOGY .2. PREDICTION OF ACUTE MAMMALIAN TOXICITY AND INTERSPECIES CORRELATIONS QUANTITATIVE STRUCTURE-ACTIVITY RELATIONSHIPS, 14 :117-120 DOI Author Url

CRONIN MTD, DEARDEN JC. 1995. QSAR IN TOXICOLOGY .1. PREDICTION OF AQUATIC TOXICITY QUANTITATIVE STRUCTURE-ACTIVITY RELATIONSHIPS, 14 :1-7 DOI Author Url

Cronin MTD. 1994. Multivariate Qsar Analysis Of A Skin Sensitization Database SAR and QSAR in Environmental Research, 2 :159-179 DOI Author Url

CRONIN MTD, BASKETTER DA, YORK M. 1994. A QUANTITATIVE STRUCTURE-ACTIVITY RELATIONSHIP (QSAR) INVESTIGATION OF A DRAIZE EYE IRRITATION DATABASE TOXICOLOGY IN VITRO, 8 :21-28 DOI Author Url

Balaz S, Cronin MTD, Dearden JC. 1993. Relationship between structure of ionizable bioactive compounds and their in vitro biological activity measured at varying pH of the medium Pharmaceutical Science Communications, 4 :51-58

BASKETTER D, SCHOLES E, KIMBER I, CRONIN M, ROBERTS D. 1993. STRUCTURE-ACTIVITY-RELATIONSHIPS FOR SKIN SENSITIZING HALOALKANES JOURNAL OF INVESTIGATIVE DERMATOLOGY, 100 :491-491 Author Url

BASKETTER D, SCHOLES E, KIMBER I, CRONIN M, ROBERTS D. 1993. STRUCTURE-ACTIVITY-RELATIONSHIPS FOR SKIN SENSITIZING HALOALKANES CLINICAL RESEARCH, 41 :A494-A494 Author Url

BASKETTER DA, ROBERTS DW, CRONIN M, SCHOLES EW. 1992. THE VALUE OF THE LOCAL LYMPH-NODE ASSAY IN QUANTITATIVE STRUCTURE-ACTIVITY INVESTIGATIONS CONTACT DERMATITIS, 27 :137-142 DOI Author Url

CRONIN MTD, DEARDEN JC, DOBBS AJ. 1991. QSAR STUDIES OF COMPARATIVE TOXICITY IN AQUATIC ORGANISMS SCIENCE OF THE TOTAL ENVIRONMENT, 109 :431-439 DOI Author Url

Dearden JC, Cronin MTD. 1991. Quantitative activity - Activity study of the microtox test for the assessment of toxicity Journal of Pharmacy and Pharmacology, Supplement, 43 :19

Cronin MT, Dearden JC. 1989. Correlation of hydrophobicity and molecular connectivities with toxicities of chlorobenzenes to different species. Progress in clinical and biological research, 291 :407-410 Author Url

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

Cronin MT, Dearden JC, Moss GP, Murray-Dickson G. Investigation of the mechanism of flux across human skin in vitro by quantitative structure-permeability relationships. Eur J Pharm Sci, 7 :325-330 DOI Author Url

Cronin MT, Dearden JC, Gupta R, Moss GP. An investigation of the mechanism of flux across polydimethylsiloxane membranes by use of quantitative structure-permeability relationships. J Pharm Pharmacol, 50 :143-152 DOI Author Url

Moss GP, Dearden JC, Patel H, Cronin MTD. Quantitative structure-permeability relationships (QSPRs) for percutaneous absorption. Toxicol In Vitro, 16 :299-317 DOI Author Url

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

Cronin MTD, Aptula AO, Duffy JC, Netzeva TI, Rowe PH, Valkova IV, Schultz TW. 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

Manga N, Duffy JC, Rowe PH, Cronin MTD. 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

Netzeva TI, Dearden JC, Edwards R, Worgan ADP, Cronin MTD. QSAR analysis of the toxicity of aromatic compounds to Chlorella vulgaris in a novel short-term assay. J Chem Inf Comput Sci, 44 :258-265 DOI Author Url

Lessigiarska I, Cronin MTD, Worth AP, Dearden JC, Netzeva TI. QSARS for toxicity to the bacterium Sinorhizobium meliloti. SAR QSAR Environ Res, 15 :169-190 DOI Author Url

Cronin MTD, Netzeva TI, Dearden JC, Edwards R, Worgan ADP. Assessment and modeling of the toxicity of organic chemicals to Chlorella vulgaris: development of a novel database. Chem Res Toxicol, 17 :545-554 DOI Author Url

Netzeva TI, Dearden JC, Edwards R, Worgan ADP, Cronin MTD. Toxicological evaluation and QSAR modelling of aromatic amines to Chlorella vulgaris. Bull Environ Contam Toxicol, 73 :385-391 DOI Author Url

Lessigiarska I, Wortha AP, Sokull-Klüttgen B, Jeram S, Dearden JC, Netzeva TI, Cronin MTD. Qsar investigation of a large data set for fish, algae and Daphnia toxicity. SAR QSAR Environ Res, 15 :413-431 DOI Author Url

Cronin MTD, Dearden JC, Walker JD, Worth AP. Quantitative structure-activity relationships for human health effects: commonalities with other endpoints. Environ Toxicol Chem, 22 :1829-1843 DOI Author Url

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

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

Lessigiarska I, Worth AP, Netzeva TI, Dearden JC, Cronin MTD. Quantitative structure-activity-activity and quantitative structure-activity investigations of human and rodent toxicity. Chemosphere, 65 :1878-1887 DOI Author Url

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

Enoch SJ, Cronin MTD, Schultz TW, Madden JC. 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

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

Enoch SJ, Madden JC, Cronin MTD. 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

Enoch SJ, Hewitt M, Cronin MTD, Azam S, Madden JC. 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

Ellison CM, Cronin MTD, Madden JC, Schultz TW. 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

Koleva YK, Madden JC, Cronin MTD. 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

Dearden JC, Cronin MTD, Kaiser KLE. How not to develop a quantitative structure-activity or structure-property relationship (QSAR/QSPR). SAR QSAR Environ Res, 20 :241-266 DOI Author Url

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

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

Cronin MTD, Bajot F, Enoch SJ, Madden JC, Roberts DW, Schwöbel J. 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

Ellison CM, Enoch SJ, Cronin MT, Madden JC, Judson P. 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

Dearden JC, Cronin MT, Dobbs AJ. Quantitative structure-activity relationships as a tool to assess the comparative toxicity of organic chemicals. Chemosphere, 31 :2521-2528 DOI Author Url

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

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

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

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

Hewitt M, Madden J, Rowe PH, MTD C. Structure-based modelling in reproductive toxicology: (Q)SARs for the placental barrier. SAR and QSAR in Environmenmtal Research, 18 :57-76

Przybylak KR, Cronin MTD. In silico models for drug-induced liver injury--current status. Expert Opin Drug Metab Toxicol, 8 :201-217 DOI Author Url

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

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

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

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

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

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

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

Ledbetter MR, Gutsell S, Hodges G, Madden JC, O'Connor S, Cronin MTD. 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

Hewitt M, Cronin MTD, Rowe PH, Schultz TW. Repeatability analysis of the Tetrahymena pyriformis population growth impairment assay. SAR QSAR Environ Res, 22 :621-637 DOI Author Url

Enoch SJ, Cronin MTD, Schultz TW. 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 Author Url

Ledbetter MR, Gutsell S, Hodges G, O'Connor S, Madden JC, Rowe PH, Cronin MTD. 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

Nelms MD, Cronin MTD, Enoch SJ, Schultz TW. Experimental verification, and domain definition, of structural alerts for protein binding: epoxides, lactones, nitroso, nitros, aldehydes and ketones SAR and QSAR in Environmental Research, DOI Author Url

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

Cronin MTD, Schultz TW, Amcoff P, Berggren E, Gautier F, Klaric M, Knight DJ, Mahony C , Schwarz M, White A. A Strategy for Structuring and Reporting a Read-Across Prediction of Toxicity Regulatory Toxicology and Pharmacology, DOI Author Url Public Url

Antczak P, White TA, Giri A, Michelangel F, Viant MR, Cronin MTD, Vulpe C, Falciani F. A systems biology approach reveals a novel calcium-dependent mechanism for basal toxicity in Daphnia magna Environmental Science and Technology (Washington), DOI Author Url Public Url

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

mellor , steinmetz , Cronin MTD. Using Molecular Initiating Events to Develop a Structural Alert Based Screening Workflow for Nuclear Receptor Ligands Associated with Hepatic Steatosis Chemical Research in Toxicology, DOI Author Url Public Url

Przybylak KP, Schultz TW, Richarz AN, Mellor CL, Escher SE, Cronin MTD. Read-Across of 90-Day Rat Oral Repeated-Dose Toxicity: A Case Study for Selected β-olefinic Alcohols Computational Toxicology, DOI Public Url

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, DOI Author Url Public Url

Lawson MK, Cronin MTD, Valko M, Jomová K. Chelators in Iron and Copper Toxicity http://link.springer.com/journal/40495, 2 :271-280 DOI Public Url

Cronin MTD. (Q)SARs to Predict Environmental Toxicities: Current Status and Future Needs Environmental Science: Processes and Impacts, DOI Author Url Public Url

Mellor CL, Schultz TW, Przybylak KR, Richarz AN, Bradbury SP, Cronin MTD. Read-Across for Rat Oral Gavage Repeated-Dose Toxicity for Short-Chain Mono-Alkylphenols: A Case Study Computational Toxicology, DOI Public Url

Schultz TW, Przybylak KR, Richarz AN, Mellor CL, Bradbury SP, Cronin MTD. Read-across of 90-Day Rat Oral Repeated-Dose Toxicity: A Case Study for Selected 2-Alkyl-1-alkanols Computational Toxicology, DOI Public Url

przybylak KR, madden JC, Covey-Crump E, Gibson L, Barber C, Patel M, Cronin MTD. Characterisation of data resources for in silico modelling: benchmark datasets for ADME properties. Expert Opinion on Drug Metabolism and Toxicology, DOI Author Url Public Url

Boobis AR, Brown P, Cronin MTD, Edwards J, Galli CL, Goodman J, Jacobs A, Kirkland D, Luijten M, Marsaux CFM, Martin M, Yang C, Hollnagel HM. Origin of the TTC values for compounds that are genotoxic and/or carcinogenic and an approach for their revaluation Critical Reviews in Toxicology, DOI Author Url Public Url

Puzyn T, Jeliazkova N, Sarimveis H, Marchese Robinson RL, Lobaskin V, Rallo R, Richarz AN, Gajewicz A, Papadopulos MG, Hastings J, Cronin MTD, Benfenati E, Fernandez A. Perspectives from the NanoSafety Modelling Cluster on the validation criteria for (Q)SAR models used in nanotechnology Food and Chemical Toxicology, DOI Author Url Publisher Url Public Url

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 Public Url

Li J, Zhang X, Yang Y, Huang T, Li C, Su M, Cronin MTD, Zhao Y. Development of thresholds of excess toxicity for environmental species and their application to identification of modes of acute toxic action Science of the Total Environment, DOI Author Url Public Url

Myatt GJ, Ahlberg E, Akahori Y, Allen D, Amberg A, Anger LT, Aptula A, Auerbach S, Beilke L, Bellion P, Benigni, R, Bercu J, Booth ED, Bower D, Brigo A, Cammerer Z, Cronin MTD, Cross KP, Custer L, Dettwiler M, Dobo K, Ford KA, Fortin MC, Gad-McDonald SE, Gellatly N, Gervais V, Glover KP, Glowienke S, van Gompel J, Gutsell S, Hardy B, Harvey JS, Hillegass J, Honma M, Hsieh JH, Hsu CW, Hughes K, Johnson C, Jolly R, Jones D, Kemper R, Kenyon MO, Kim MT, Kruhlak NL, Kulkarni SA, Kümmerer K, Leavitt P, Majer B, Masten S, Miller S, Moser J, Mumtaz M, Muster W, Neilson L, Oprea TI, Patlewicz G, Paulino A, Piparo EL, Powley M, Quigley DP, Reddy MV, Richarz AN, Ruiz P, Schilter B, Serafimova R, Simpson W, Stavitskaya L, Stidl R, Suarez-Rodriguez D, Szabo DT, Teasdale A, Trejo-Martin A, Valentin JP, Vuorinen A, Wall BA, Watts P, White AT, Wichard J, Witt KL, Woolley A, Woolley D, Zwickl C, Hasselgren C. In silico toxicology protocols Regulatory Toxicology and Pharmacology, DOI Author Url Public Url

Firman JW, Belfield SJ, Chen G, Jackson M, Lam FH, Richmond C, Smith J, Steinmetz FP, Cronin MTD. Chemoinformatic Consideration of Novel Psychoactive Substances: Compilation and Preliminary Analysis of a Categorised Dataset Molecular Informatics, DOI Author Url Public Url

Cronin MTD. Optimizing drug discovery by Investigative Toxicology: Current and future trends ALTEX : Alternatives to Animal Experimentation, DOI Author Url Public Url

Ellison C, Blackburn K, Carmichael P, Clewell H, Cronin MTD, Desprez B, Escher S, Ferguson S, Grégoire S, Hewitt N, Hollnagel H, Klaric M, Patel A, Salhi S, Schepky A, Schmitt B, Wambaugh J, Worth A. Challenges in working towards an internal Threshold of Toxicological Concern (iTTC) for use in the safety assessment of cosmetics: Discussions from the Cosmetics Europe iTTC Working Group workshop Regulatory Toxicology and Pharmacology, DOI Author Url Publisher Url Public Url

Drakvik E, Altenburger R, Cronin M. Statement on Advancing the Assessment of Chemical Mixtures and their Risks for Human Health and the Environment Environment International, DOI Author Url Public Url

Conference publication

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

Punt A, Boobis A, Cronin MT, Etter S, Firman J, Forsberg K, Gosling JP, Hepburn PA, Thiel A, Traussnig H, Wilks MF, Fussell K. 2019. High throughput screening in the risk and benefit assessment of food ingredients TOXICOLOGY LETTERS, 55th Congress of the European-Societies-of-Toxicology (EUROTOX) - Toxicology - Science Providing Solutions 314 :S30-S30 Author Url

Mostrag A, Yang C, Cheeseman M, Rathman J, Skoulis N, Vitcheva V, Cronin MT. 2019. New TTC database compilation to support thresholds of toxicological concern in the risk assessment of antimicrobials beyond Cramer Classes TOXICOLOGY LETTERS, 55th Congress of the European-Societies-of-Toxicology (EUROTOX) - Toxicology - Science Providing Solutions 314 :S257-S257 Author Url

Cronin MT. 2019. The use of quantitative structure-activity relationships (QSARs) and grouping approaches including read-across and category formation to fill data gaps TOXICOLOGY LETTERS, 55th Congress of the European-Societies-of-Toxicology (EUROTOX) - Toxicology - Science Providing Solutions 314 :S7-S7 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

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

Nepelska M, Cronin MTD, Cubberley R, Dent M, Firman JW, Fisher J, Kenna G, Mahony C, Nicol B, Piechota S, Przybylak K, Schepky A, Tozer S, Troutman J, Desprez B. 2018. Cosmetic Europe's long range science strategy - A non-animal safety assessment case study for phenoxyethanol, a cosmetic ingredient TOXICOLOGY LETTERS, 54th Congress of the European-Societies-of-Toxicology (EUROTOX) - Toxicology Out of the Box 295 :S171-S171 DOI Author 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

Yang C, Bienfait B, Cronin MTD, Fioravanzo E, Gatnik M, Kleinoeder T, Park J, Liu J, Magdziarz T, Marusczyk J, Mostrag A, Mulcahy M, Rathman JF, Sacher O, Schwab C, Tarkhov A. 2018. ToxGPS, a solution guiding read-across workflow based on chemoinformatics and safety assessment TOXICOLOGY LETTERS, 54th Congress of the European-Societies-of-Toxicology (EUROTOX) - Toxicology Out of the Box 295 :S104-S105 DOI Author Url

Cronin MTD. 2018. Scientific issues that need to be addressed for a successful read-across prediction TOXICOLOGY LETTERS, 54th Congress of the European-Societies-of-Toxicology (EUROTOX) - Toxicology Out of the Box 295 :S9-S10 DOI Author 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

Cronin M. 2017. Modelling the quantitative aspects of AOPs TOXICOLOGY LETTERS, 53rd Congress of the European-Societies-of-Toxicology (EUROTOX) 280 :S67-S67 DOI Author Url

Enoch S, Cronin M, Schultz T. 2017. Understanding the limitations of, and improving, read-across predictions for repeated-dose toxicity by learning from case studies TOXICOLOGY LETTERS, 53rd Congress of the European-Societies-of-Toxicology (EUROTOX) 280 :S99-S99 DOI Author Url

Cronin M, Belfield S, Escher S, Firman J, Lieu J, Marsaux C, Mostrag-Szlichtyng A, Przybylak K, Rathman J, Tarkhov A, Yang C. 2017. Extension of the carcinogen dose-response database for threshold of toxicological concern TOXICOLOGY LETTERS, 53rd Congress of the European-Societies-of-Toxicology (EUROTOX) 280 :S284-S284 DOI Author 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

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 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

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 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

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

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

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

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

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

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

Yang C, Hristozov D, Tarkhov A, Kleinoeder T, Boyer I, Cronin M, Fioravanzo E, Kim H, Heldreth B, Mostrag-Szylchtying A, Rathman J, Richarz A, Schwab C, Vitcheva V, Worth A. 2015. COSMOS DB as an international share point for exchanging regulatory and toxicity data of cosmetics ingredients and related substances TOXICOLOGY LETTERS, 51st Congress of the European-Societies-of-Toxicology (EUROTOX) 238 :S382-S382 DOI Author Url

Cronin M, Bois F, Fioravanzo E, Meinl T, Neagu D, Worth A, Yang C, Richarz A-N. 2015. Computational chemistry solutions supporting chemical safety assessment: Lessons learned for using in silico approaches TOXICOLOGY LETTERS, 51st Congress of the European-Societies-of-Toxicology (EUROTOX) 238 :S169-S170 DOI Author Url

Tsakovska I, Al Sharif M, Fioravanzo E, Bassan A, Kovarich S, Vitcheva V, Mostrag-Szlichtyng A, Yang C, Steinmetz F, Cronin M. 2015. In silico approaches to support liver toxicity screening of chemicals: Case study on molecular modelling of ligands-nuclear receptors interactions to predict potential steatogenic effects TOXICOLOGY LETTERS, 51st Congress of the European-Societies-of-Toxicology (EUROTOX) 238 :S173-S173 DOI Author 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

Vitcheva V, Al Sharif M, Tsakovska I, Alov P, Mostrag-Szlichtyng A, Cronin MTD, Yang C, Pajeva I. 2014. Description of the MoA/AOP linked with PPARgamma receptor dysregulation leading to liver fibrosis TOXICOLOGY LETTERS, 50th Congress of the European-Societies-of-Toxicology 229 :S49-S49 DOI Author 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

Mellor C, Cronin M, Steinmetz F. 2014. Identification of in silico structural alerts for liver steatosis induced by nuclear receptor agonists TOXICOLOGY LETTERS, 50th Congress of the European-Societies-of-Toxicology 229 :S162-S162 DOI Author Url

Mellor C, Cronin M, Evenseth L, Sylte I, Kristiansen K, Tollefsen KE. 2014. Integrating computational modelling of receptor binding into mechanistically based risk assessment for endocrine disruptors TOXICOLOGY LETTERS, 50th Congress of the European-Societies-of-Toxicology 229 :S162-S163 DOI Author Url

Bakhtyari GN, Bakhtyari GA, Benfenati E, Cronin M, Rasulev B, Leszczynski J. 2014. Prediction of Genotoxicity of Nano Metal Oxides by Computational Methods: A New Decision Tree QSAR Model ENVIRONMENTAL AND MOLECULAR MUTAGENESIS, 45th Annual Meeting of the Environmental-Mutagenesis-and-Genomics-Society (EMGS) 55 :S43-S43 Author Url

Binjumah WM, Sun Y, Hewitt M, Adams R, Davey N, Gullick DR, Wilkinson SC, Cronin M, Moss GP. 2014. Feature Selection Modelling for Percutaneous Absorption across Synthetic Membranes 2014 IEEE 26TH INTERNATIONAL CONFERENCE ON TOOLS WITH ARTIFICIAL INTELLIGENCE (ICTAI), 26th IEEE International Conference on Tools with Artificial Intelligence (ICTAI) :1021-1025 DOI Author 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

Bakhtyari NG, Rasulev B, Leszczynski J, Benfenati E, Cronin M. 2013. Genotoxicity of Metal Oxide Nanoparticles: A New Predictive (Q)SAR Model ENVIRONMENTAL AND MOLECULAR MUTAGENESIS, 44th Annual Meeting of the Environmental-Mutagenesis-and-Genomics-Society (EMGS) 54 :S48-S48 Author Url

Fioravanzo E, Bassan A, Cronin MTD, Kovarich S, Manelfi C, Richarz A-N, Tsakovska I, Worth AP. 2013. Molecular modelling of LXR binding to evaluate the potential for liver steatosis TOXICOLOGY LETTERS, 221 :S83-S83 DOI Author 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

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

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, 49th Congress of the European-Societies-of-Toxicology (EUROTOX) 221 :S81-S81 DOI Author Url

Williams FM, Ambrosio M, Barrett G, Cronin M, Guy RH, Plautz J, Roper C, Rothe H, Rua D, Verwei M, Yang C. 2013. Threshold of toxicological concern (TIC) task force: a strategy to support application of TTC to dermally applied cosmetic ingredients TOXICOLOGY LETTERS, 49th Congress of the European-Societies-of-Toxicology (EUROTOX) 221 :S35-S35 DOI Author Url

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

Yang C, Ambrosio M, Arvidson K, Barlow S, Boobis A, Checheva M, Cronin M, Felter S, Fioravanzo E, Hollnagel H, Hristozov D, Jacobs K, Keller D, Mostrag-Szylchtying A, Nelms M, Rathman J, Richarz A, Tsakovska I, Vidry S, Vitcheva V, Worth A. 2013. Development of new COSMOS oRepeatDose and non-cancer Threshold of Toxicological Concern (TTC) databases to support alternative testing methods for cosmetics related chemicals TOXICOLOGY LETTERS, 49th Congress of the European-Societies-of-Toxicology (EUROTOX) 221 :S80-S80 DOI Author Url

Richarz A-N, Neagu D, Yang C, Fioravanzo E, Pery A, Worth A, Berthold M, Cronin M. 2013. Development of integrated in silico models for toxicity prediction focussing on cosmetic ingredients TOXICOLOGY LETTERS, 49th Congress of the European-Societies-of-Toxicology (EUROTOX) 221 :S81-S81 DOI Author Url

Vitcheva V, Mostrag-Szychtying A, Nelms M, Alov P, Enoch S, Tsakovka I, Rathman J, Cronin M. 2013. Data mining toxicity effects through an ontology approach to investigate toxicity mode of action TOXICOLOGY LETTERS, 49th Congress of the European-Societies-of-Toxicology (EUROTOX) 221 :S80-S80 DOI Author Url

Al Sharif M, Alov P, Cronin M, Fioravanzo E, Tsakovska I, Vitcheva V, Worth A, Yang C, Pajeva I. 2013. Toward better understanding of liver steatosis MoA: Molecular modelling study of PPAR gamma receptor TOXICOLOGY LETTERS, 49th Congress of the European-Societies-of-Toxicology (EUROTOX) 221 :S85-S85 DOI Author 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, Berthold MR, Fioravanzo E, Neagu D, Yang C, Zaldivar-Comenges J-M, Cronin MTD. 2013. Integrated In Silico Modeling for the Prediction of Chronic Toxicity INTERNATIONAL JOURNAL OF TOXICOLOGY, 33rd Annual Meeting of the American-College-of-Toxicology 32 :72-73 Author Url

Cronin MTD, Enoch SJ. 2012. Defining the chemistry associated with DNA binding to allow for prediction of mutagenicity by grouping and read across MUTAGENESIS, 27 :789-789 Author Url

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

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

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

Basketter D, Pease C, Kasting G, Kimber I, Casati S, Cronin M, Diembeck W, Gerberick F, Hadgraft J, Hartung T, Marty JP, Nikolaidis E, Patlewicz G, Roberts D, Roggen E, Rovida C, van de Sandt J. 2007. Skin sensitisation and epidermal disposition: The relevance of epidermal disposition for sensitisation hazard identification and risk assessment - The report and recommendations of ECVAM Workshop 59 ATLA-ALTERNATIVES TO LABORATORY ANIMALS, 2nd Joint Conference of the Estonian-Society-of-Toxicology/Scandinavian-Society-for-Cell-Toxicology 35 :137-154 DOI Author Url

Kahn I, Maran U, Benfenati E, Netzeva TI, Schultz TW, Cronin MTD. 2007. Comparative quantitative structure-activity-activity relationships for toxicity to Tetrahymena pyriformis and Pimephales prometas ATLA Alternatives to Laboratory Animals, 35 :15-24 DOI Author Url

Roberts DW, Aptula AO, Cronin MTD, Hulzebos E, Patlewicz G. 2007. Global (Q)SARs for skin sensitisation - assessment against OECD principles SAR AND QSAR IN ENVIRONMENTAL RESEARCH, 12th International Workshop on Quantitative Structure - Activity Relationships in Environmental Toxicology (QSAR 2006) 18 :343-365 DOI Author Url

Guo G, Neagu D, Cronin MTD. 2005. A study on feature selection for toxicity prediction Lecture Notes in Artificial Intelligence (Subseries of Lecture Notes in Computer Science), 3614 :31-34

Netzeva TI, Worth AP, Aldenberg T, Benigni R, Cronin MTD, Gramatica P, Jaworska JS, Kahn S, Klopman G, Marchant CA, Myatt G, Nikolova-Jeliazkova N, Patlewicz GY, Perkins R, Roberts DW, Schultz TW, Stanton DT, Van De Sandt JJM, Tong W, Veith G, Yang C. 2005. Current status of methods for defining the applicability domain of (quantitative) structure-activity relationships ATLA Alternatives to Laboratory Animals, 33 :155-173

Guo GD, Neagu D, Cronin MTD. 2005. Using kNN model for automatic feature selection Singh S, Singh M, Apte C, Perner P. PATTERN RECOGNITION AND DATA MINING, PT 1, PROCEEDINGS, 3rd International Conference on Advances in Pattern Recognition 3686 :410-419 Author Url

Guo G, Neagu D, Cronin MTD. 2005. A study on feature selection for toxicity prediction Wang L, Jin Y. FUZZY SYSTEMS AND KNOWLEDGE DISCOVERY, PT 2, PROCEEDINGS, 2nd International Conference on Fuzzy Systems and Knowledge Discovery 3614 :31-34 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

Worth AP, Cronin MTD. 2004. Report of the workshop on the validation of QSARs and other computational prediction models ATLA-ALTERNATIVES TO LABORATORY ANIMALS, 4th World Congress on Alternatives and Animal Use in the Life Sciences 32 :703-706 DOI Author Url

Cronin MTD. 2002. The current status and future applicability of quantitative structure-activity relationships (QSARs) in predicting toxicity ATLA-ALTERNATIVES TO LABORATORY ANIMALS, ECVAM Status Seminar 30 :81-84 DOI Author Url

Cronin MTD. 2001. Prediction of drug toxicity FARMACO, 16th International Symposium on Medicinal Chemistry 56 :149-151 DOI Author Url

Schultz TW, Bowers GS, Cronin MTD. 2000. Structure-toxicity relationships for four classes of aliphatic electrophiles to Vibrio fischeri Marine Environmental Research, 50 :80

Dearden JC, Ahmed SA, Cronin MTD, Sharra JA. 2000. QSPR prediction of Henry's law constant: Improved correlation with new parameters Gundertofte K, Jorgensen FS. MOLECULAR MODELING AND PREDICTION OF BIOACTIVITY, 12th European Symposium on Quantitative Structure-Activity Relationships :273-274 Author Url

Dearden JC, Cronin MTD, Sharra JA, Higgins C, Boxall ABA, Watts CD. 1997. The prediction of Henry's law constant: A QSPR from fundamental considerations Chen F, Schuurmann G. QUANTITATIVE STRUCTURE-ACTIVITY RELATIONSHIPS IN ENVIRONMENTAL SCIENCES - VII, 7th International Workshop on Quantitative Structure-Activity Relationships in Environmental Science (QSAR 96) :135-142 Author Url

Dearden JC, Cronin MTD. 1996. Quantitative structure-biodegradability studies: An investigation of the MITI aromatic compound data-base Peijnenburg WJG, Damborsky J. BIODEGRADABILITY PREDICTION, NATO Advanced Research Workshop on QSAR Biodegradation II - QSARs for Biotransformation and Biodegradation 23 :93-104 Author Url

DEARDEN JC, CRONIN MTD. 1994. QUANTITATIVE STRUCTURE-ACTIVITY-RELATIONSHIPS AS A TOOL TO ASSESS THE COMPARATIVE TOXICITY OF ORGANIC-CHEMICALS ABSTRACTS OF PAPERS OF THE AMERICAN CHEMICAL SOCIETY, 207 :61-ENVR Author Url

Chapters

Richarz AN, Avramopoulos A, Benfenati E, Gajewicz A, Golbamaki Bakhtyari N, Leonis RL, Marchese Robinson RL, Papadopoulos MG, Puzyn T. 2016. Compilation of data and modelling of nanoparticle interactions and toxicity in the NanoPUZZLES Project Tran L, Banares MA, Rallo R. Modelling the Toxicity of Nanoparticles :303-324 Springer 9783319477527 DOI Author Url

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

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

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

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

Cronin MTD. 2010. Prediction of harmful human health effects of chemicals from structure Challenges and Advances in Computational Chemistry and Physics 8 :305-325 DOI

Cronin MTD. 2010. Quantitative Structure–Activity Relationships (QSARs) – Applications and Methodology Challenges and Advances in Computational Chemistry and Physics 8 :3-11 DOI

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

Hewitt M, Cronin MTD. 2006. Comprehensive Medicinal Chemistry II, Eight-Volume Set Triggle DJ, Taylor JB. Comprehensive Medicinal Chemistry II, Eight-Volume Set 5 :725-744 Elsevier Science & Technology 9780080445137

Cronin MTD, Hewitt M. 2006. In silico models to predict passage through the skin and other barriers Comprehensive Medicinal Chemistry II 5 :725-744 9780080450445

Cronin MTD. 2005. Toxicological information for use in predictive modeling: Quality, sources, and databases Predictive Toxicology :93-133 9780824723972

Cronin MTD. 2003. Quantitative structure-activity relationships for acute aquatic toxicity: The role of mechanism of toxic action in successful modeling Quantitative Structure-Activity Relationship (QSAR) Models of Mutagens and Carcinogens :235-258 9780849315077 DOI

Cronin MTD, Moon M. Computational Methods to Predict Toxicity The History of Alternative Test Methods in Toxicology Academic Press 9780128136973

Book

Cronin MTD. 2013. An introduction to chemical grouping, categories and read-across to predict toxicity :1-29 9781849733847

Cronin MTD, Madden JC. 2010. Preface 9781849730044

Puzyn T, Leszczynski J, Cronin MTD. 2010. Preface 8 :v

Puzyn T, Leszczynski J, Cronin MTD. Recent Advances in QSAR Studies Springer Verlag 9781402097829

Cronin M, Madden J. In Silico Toxicology 9781849730044

Cronin MTD, Livingstone D. Predicting chemical toxicity and fate CRC 9780415271806

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

Editorial/letter to the editor

Cronin MTD, Dietrich D. Computational Toxicology to Support Predictions of ADMET Properties and as a Promising Tool for 21st Century Risk Assessment Computational Toxicology, 1 :1-2 DOI