Cronin, M, Basiri, H, Chrysochoou, G, Enoch, SJ, Firman, JW, Spinu, N and Madden, JC (2024) The predictivity of QSARs for toxicity: Recommendations for improving model performance. Computational Toxicology, 33.

Enoch, SJ, Hasarova, Z, Cronin, MTD, Bridgwood, K, Rao, S, Kluxen, FM and Frericks, M (2024) Metabolism-based category formation for the prioritisation of genotoxicity hazard assessment for plant protection product residues (Part 4): α-Chloroacetamides. Regulatory Toxicology and Pharmacology, 150. ISSN 0273-2300

Enoch, SJ, Hasarova, Z, Cronin, MTD, Bridgwood, K, Rao, S, Kluxen, FM and Frericks, M (2023) Metabolism-based category formation for the prioritisation of genotoxicity hazard assessment for plant protection product residues (part III): Strobilurins. Regulatory Toxicology and Pharmacology. ISSN 0273-2300

Belfield, SJ, Cronin, MTD, Enoch, SJ and Firman, JW (2023) Guidance for good practice in the application of machine learning in development of toxicological quantitative structure-activity relationships (QSARs). PLOS ONE, 18 (5).

Yang, C, Rathman, JF, Bienfait, B, Burbank, M, Detroyer, A, Enoch, SJ, Firman, JW, Gutsell, S, Hewitt, NJ, Hobocienski, B, Mostrag-Szlichtyng, A, Krueger, CT, Lester, C, Mahoney, C, Najjar, A, Ouédraogo, G, Przybylak, KR, Ribeiro, JF and Cronin, M (2023) The role of a molecular informatics platform to support next generation risk assessment. Computational Toxicology, 26. ISSN 2468-1113

Cronin, M, Belfield, SJ, Briggs, K, Enoch, SJ, Firman, JW, Frericks, M, Garrard, C, MacCallum, P, Madden, JC, Pastor, M, Sanz, F, Soininen, I and Sousoni, D (2023) Making in silico predictive models for toxicology FAIR. Regulatory Toxicology and Pharmacology, 140. ISSN 0273-2300

Belfield, SJ, Firman, JW, Enoch, SJ, Madden, JC, Erik Tollefsen, K and Cronin, MTD (2022) A Review of Quantitative Structure-Activity Relationship Modelling Approaches to Predict the Toxicity of Mixtures. Computational Toxicology. p. 100251. ISSN 2468-1113

Enoch, SJ, Hasarova, Z, Cronin, MTD and Frericks, M (2022) Sub-structure-based category formation for the prioritisation of genotoxicity hazard assessment for pesticide residues (part 2): Triazoles. Regulatory Toxicology and Pharmacology, 134. ISSN 0273-2300

Pestana, C, Enoch, SJ, Firman, JW, Madden, JC, Spinu, N and Cronin, MTD (2022) A Strategy to Define Applicability Domains for Read-Across. Computational Toxicology, 22. ISSN 2468-1113

Enoch, SJ, Hasarova, Z, Cronin, MTD, Bridgwood, K, Rao, S, Kluxen, F and Frericks, M (2022) Sub-structure-based category formation for the prioritisation of genotoxicity hazard assessment for pesticide residues: Sulphonyl ureas. Regulatory Toxicology and Pharmacology, 129. ISSN 0273-2300

Cronin, MTD, Enoch, SJ, Madden, JC, Rathman, JF, Richarz, AN and Yang, C (2022) A Review of In Silico Toxicology Approaches to Support the Safety Assessment of Cosmetics-Related Materials. Computational Toxicology, 21. ISSN 2468-1113

Spinu, N, Cronin, MTD, Lao, J, Bal-Price, A, Campia, I, Enoch, SJ, Madden, JC, Lagares, LM, Novič, M, Pamies, D, Scholz, S, Villeneuve, DL and Worth, A (2021) Probabilistic Modelling of Developmental Neurotoxicity based on a Simplified Adverse Outcome Pathway Network. Computational Toxicology, 21. ISSN 2468-1113

Yang, C, Cronin, MTD, Arvidson, K, Bienfait, B, Enoch, SJ, Heldreth, B, Hobocienski, B, Muldoon-Jacobs, K, Lan, Y, Madden, JC, Magdziarz, T, Marusczyk, J, Mostrag, A, Nelms, MD, Przybylak, KR, Rathman, JF, Richarz, A-N, Richard, AM, Ribeiro, JV, Sacher, O et al, Schwab, C, Vitcheva, P, Volarath, P and Worth, AP (2021) COSMOS Next Generation – a public knowledge base leveraging chemical and biological data to support the regulatory assessment of chemicals. Computational Toxicology, 19. ISSN 2468-1113

Belfield, SJ, Enoch, SJ, Firman, JW, Madden, JC, Schultz, TW and Cronin, MTD (2021) Determination of “Fitness-for-Purpose” of Quantitative Structure-Activity Relationship (QSAR) Models to Predict (Eco-)Toxicological Endpoints for Regulatory Use. Regulatory Toxicology and Pharmacology, 123. ISSN 0273-2300

Madden, JC, Enoch, SJ, Paini, A and Cronin, MTD (2020) A Review of In Silico Tools as Alternatives to Animal Testing: Principles, Resources and Applications. Alternatives to Laboratory Animals. ISSN 0261-1929

Masinja, W, Elliott, C, Modi, S, Enoch, SJ, Cronin, MTD, McInnes, EF and Currie, RA (2020) Comparison of the predictive nature of the genomic allergen rapid detection (GARD) assay with mammalian assays in determining the skin sensitisation potential of agrochemical active ingredients. Toxicology In Vitro. ISSN 0887-2333

Spinu, N, Cronin, MTD, Enoch, SJ, Madden, JC and Worth, A (2020) Quantitative Adverse Outcome Pathway (qAOP) models for toxicity prediction. Archives of Toxicology, 94. pp. 1497-1510. ISSN 0340-5761

Ebbrell, DJ, Madden, JC, Cronin, MTD, Schultz, T and Enoch, SJ (2019) Development of a fragment-based in silico profiler for SN2 thiol reactivity and its application in predicting toxicity of chemicals towards Tetrahymena pyriformis. Computational Toxicology, 13. ISSN 2468-1113

Spinu, N, Bal-Price, A, Cronin, MTD, Enoch, SJ, Madden, JC and Worth, A (2019) Development and Analysis of an Adverse Outcome Pathway Network for Human Neurotoxicity. Archives of Toxicology, 93 (10). pp. 2759-2772. ISSN 0340-5761

Kelly, RA, Leedale, J, Calleja, D, Enoch, SJ, Harrell, A, Chadwick, A and Webb, SD (2019) Modelling changes in glutathione homeostasis as a function of quinone redox metabolism. Scientific Reports. ISSN 2045-2322

Mellor, CL, Marchese Robinson, RL, Benigni, R, Ebbrell, DJ, Enoch, SJ, Firman, JW, Madden, JC, Pawar, G, Yang, C and Cronin, MTD (2018) Molecular Fingerprint-Derived Similarity Measures for Toxicological Read-Across: Recommendations for Optimal Use. Regulatory Toxicology and Pharmacology, 101. pp. 121-134. ISSN 0273-2300

Pletz, J, Enoch, SJ, Jais, DM, Mellor, CL, Pawar, G, Madden, JC, Webb, SD, Tagliati, C and 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. ISSN 1744-7607

Nelms, M, Mellor, C, Enoch, SJ, Judson, R, Patlewicz, G, Richard, A, Madden, JC, Cronin, MTD and Edwards, S (2018) A Mechanistic Framework for Integrating Chemical Structure and High-Throughput Screening Results to Improve Toxicity Predictions. Computational Toxicology, 8. ISSN 2468-1113

Enoch, SJ, Schultz, T, Popova, I, Vasilev, K and Mekenyan, O (2018) Development of a decision tree for mitochondrial dysfunction: Uncoupling of oxidative phosphorylation. Chemical Research in Toxicology. ISSN 0893-228X

Lukac, I, Zarnecka, J, Griffen, EJ, Dossetter, AG, St-Gallay, SA, Enoch, SJ, Madden, JC and Leach, AG (2017) Turbocharging Matched Molecular Pair Analysis: Optimizing the Identification and Analysis of Pairs. Journal of Chemical Information Modeling. ISSN 1549-9596

Sullivan, K, Enoch, SJ, Ezendam, J, Sewald, K, Roggen, EL and Cochrane, S (2017) An Adverse Outcome Pathway for Sensitization of the Respiratory Tract by Low-Molecular-Weight Chemicals: Building Evidence to Support the Utility of In Vitro and In Silico Methods in a Regulatory Context. In Vitro & Molecular Toxicology: A Journal of Basic and Applied Research, 3 (3). ISSN 1097-9336

Yang, C, Barlow, SM, Muldoon Jacobs, KL, Vitcheva, V, Boobis, AR, Felter, SP, Arvidson, KB, Keller, D, Cronin, MTD, Enoch, SJ, Worth, A and Hollnagel, HM (2017) Thresholds of Toxicological Concern for Cosmetics-Related Substances: New Database, Thresholds, and Enrichment of Chemical Space. Food and Chemical Toxicology, 109 (Part 1). pp. 170-193. ISSN 0278-6915

Cronin, MTD, Enoch, SJ, Mellor, CL, Przybylak, KR, Richarz, AN and Madden, JC (2017) In Silico Prediction of Organ Level Toxicity: Linking Chemistry to Adverse Effects. Toxicological Research, 33 (3). pp. 173-182. ISSN 1976-8257

Madden, JC, Webb, SD, Enoch, SJ, Colley, H, Murdoch, C, Shipley, R, Sharma, P, Yang, C and Cronin, MTD (2017) In silico prediction of skin metabolism and its implication in toxicity assessment. Computational Toxicology. ISSN 2468-1113

Ebbrell, DJ, Madden, JC, Cronin, MTD, Schultz, TW and Enoch, SJ (2017) Validation of a fragment-based profiler for thiol reactivity for the prediction of toxicity: skin sensitisation and tetrahymena pyriformis. Chemical Research in Toxicology, 30 (2). pp. 604-613. ISSN 0893-228X

Enoch, SJ (2016) Developing a framework for assessing respiratory sensitization: A workshop report. REGULATORY TOXICOLOGY AND PHARMACOLOGY. ISSN 0273-2300

Ebbrell, DJ, Madden, JC, Cronin, MTD, Schultz, TW and Enoch, SJ (2016) Development of a Fragment-Based in Silico Profiler for Michael Addition Thiol Reactivity. Chemical Research in Toxicology, 29 (6). pp. 1073-1081. ISSN 1520-5010

Ellison, CM, Piechota, P, Madden, JC, Enoch, SJ and Cronin, MTD (2016) Adverse Outcome Pathway (AOP) Informed Modeling of Aquatic Toxicology: QSARs, Read-Across, and Interspecies Verification of Modes of Action. Environmental Science & Technology, 50 (7). pp. 3995-4007. ISSN 1520-5851

Enoch, SJ (2015) Mechanism-based QSAR modeling of skin sensitization. Chemical Research in Toxicology, 28 (10). pp. 1975-1986. ISSN 1520-5010

Seed, M, Enoch, SJ and Agius, R (2015) Chemical determinants of occupational hypersensitivity pneumonitis. Occupational Medicine, 65 (8). pp. 673-681. ISSN 1471-8405

Enoch, SJ (2015) The development of an in silico profiler for mitochondrial toxicity. Chemical Research in Toxicology, 28 (10). pp. 1891-1902. ISSN 1520-5010

Ellison, CM, Madden, JC, Cronin, MTD and Enoch, SJ (2015) Investigation of the Verhaar scheme for predicting acute aquatic toxicity: improving predictions obtained from Toxtree ver. 2.6. Chemosphere, 139. pp. 146-154. ISSN 1879-1298

Nelms, MD, Ates, G, Madden, JC, Vinken, M, Cronin, MTD, Rogiers, V and Enoch, SJ (2015) Proposal of an in silico profiler for categorisation of repeat dose toxicity data of hair dyes. ARCHIVES OF TOXICOLOGY, 89 (5). pp. 733-741. ISSN 0340-5761

Enoch, SJ, Roberts, DW, Madden, JC and Cronin, MTD (2014) Development of an In Silico Profiler for Respiratory Sensitisation. Alternatives to the Laboratory Animals, 42 (6). pp. 367-375. ISSN 0261-1929