| Improvement of quantitative structure–activity relationship (QSAR) tools for predicting Ames mutagenicity: outcomes of the Ames/QSAR International Challenge Project M Honma, A Kitazawa, A Cayley, RV Williams, C Barber, T Hanser, ... Mutagenesis 34 (1), 3-16, 2019 | 124 | 2019 |
| Applicability domain: towards a more formal definition T Hanser, C Barber, JF Marchaland, S Werner SAR and QSAR in Environmental Research 27 (11), 865-881, 2016 | 119 | 2016 |
| Self organising hypothesis networks: a new approach for representing and structuring SAR knowledge T Hanser, C Barber, E Rosser, JD Vessey, SJ Webb, S Werner Journal of cheminformatics 6, 1-21, 2014 | 50 | 2014 |
| Emerging pattern mining to aid toxicological knowledge discovery R Sherhod, PN Judson, T Hanser, JD Vessey, SJ Webb, VJ Gillet Journal of chemical information and modeling 54 (7), 1864-1879, 2014 | 48 | 2014 |
| Feature combination networks for the interpretation of statistical machine learning models: application to Ames mutagenicity SJ Webb, T Hanser, B Howlin, P Krause, JD Vessey Journal of cheminformatics 6, 1-21, 2014 | 42 | 2014 |
| Evaluation of a statistics-based Ames mutagenicity QSAR model and interpretation of the results obtained C Barber, A Cayley, T Hanser, A Harding, C Heghes, JD Vessey, ... Regulatory Toxicology and Pharmacology 76, 7-20, 2016 | 40 | 2016 |
| Exploring QSAR models for activity-cliff prediction M Dablander, T Hanser, R Lambiotte, GM Morris Journal of Cheminformatics 15 (1), 47, 2023 | 31 | 2023 |
| Machine learning of generic reactions: 3. an efficient algorithm for maximal common substructure determination C Tonnelier, P Jauffret, T Hanser, G Kaufmann Tetrahedron Computer Methodology 3 (6), 351-358, 1990 | 28 | 1990 |
| Distinguishing between expert and statistical systems for application under ICH M7 C Barber, T Hanser, P Judson, R Williams Regulatory Toxicology and Pharmacology 84, 124-130, 2017 | 27 | 2017 |
| Federated learning for molecular discovery T Hanser Current Opinion in Structural Biology 79, 102545, 2023 | 23 | 2023 |
| Systematic analysis of protein targets associated with adverse events of drugs from clinical trials and postmarketing reports IA Smit, AM Afzal, CHG Allen, F Svensson, T Hanser, A Bender Chemical Research in Toxicology 34 (2), 365-384, 2020 | 21 | 2020 |
| Avoiding hERG-liability in drug design via synergetic combinations of different (Q) SAR methodologies and data sources: a case study in an industrial setting T Hanser, FP Steinmetz, J Plante, F Rippmann, M Krier Journal of cheminformatics 11, 1-13, 2019 | 19 | 2019 |
| Applicability domain: towards a more formal framework to express the applicability of a model and the confidence in individual predictions T Hanser, C Barber, S Guesné, JF Marchaland, S Werner Advances in computational toxicology: Methodologies and applications in …, 2019 | 16 | 2019 |
| Machine learning of generic reactions: 1. Scope of the project; the GRAMS program P Jauffret, T Hanser, C Tonnelier, G Kaufmann Tetrahedron Computer Methodology 3 (6), 323-333, 1990 | 13 | 1990 |
| Machine learning of generic reactions: 2. toward an advanced computer representation of chemical reactions P Jauffret, C Tonnelier, T Hanser, G Kaufmann, R Wolff Tetrahedron Computer Methodology 3 (6), 335-349, 1990 | 12 | 1990 |
| Toxicological knowledge discovery by mining emerging patterns from toxicity data R Sherhod, VJ Gillet, T Hanser, PN Judson, JD Vessey Journal of Cheminformatics 5 (Suppl 1), O9, 2013 | 11 | 2013 |
| Mind your prevalence! SJJ Guesné, T Hanser, S Werner, S Boobier, S Scott Journal of Cheminformatics 16 (1), 43, 2024 | 6 | 2024 |
| Siamese neural networks work for activity cliff prediction M Dablander, R Lambiotte, GM Morris, T Hanser Poster presented at the 4th RSC-BMCS/RSC-CICAG Artificial Intelligence in …, 2023 | 4 | 2023 |
| From model performance to decision support–The rise of computational toxicology in chemical safety assessments C Barber, A Fowkes, T Hanser, C Heghes Computational Toxicology, 100303, 2024 | 2 | 2024 |
| Exploring molecular machine learning models for activity-cliff prediction M Dablander, T Hanser, R Lambiotte, GM Morris Journal of Cheminformatics 15 (1), 47, 2023 | 2 | 2023 |
