| Target prediction utilising negative bioactivity data covering large chemical space LH Mervin, AM Afzal, G Drakakis, R Lewis, O Engkvist, A Bender Journal of cheminformatics 7, 1-16, 2015 | 142 | 2015 |
| FAst MEtabolizer (FAME): A rapid and accurate predictor of sites of metabolism in multiple species by endogenous enzymes J Kirchmair, MJ Williamson, AM Afzal, JD Tyzack, APK Choy, A Howlett, ... Journal of chemical information and modeling 53 (11), 2896-2907, 2013 | 68 | 2013 |
| Orthologue chemical space and its influence on target prediction LH Mervin, KC Bulusu, L Kalash, AM Afzal, F Svensson, MA Firth, I Barrett, ... Bioinformatics 34 (1), 72-79, 2018 | 45 | 2018 |
| A Bayesian neural network for toxicity prediction E Semenova, DP Williams, AM Afzal, SE Lazic Computational Toxicology 16, 100133, 2020 | 43 | 2020 |
| A multi-label approach to target prediction taking ligand promiscuity into account AM Afzal, HY Mussa, RE Turner, A Bender, RC Glen Journal of cheminformatics 7, 1-14, 2015 | 43 | 2015 |
| Comparison of chemical structure and cell morphology information for multitask bioactivity predictions MA Trapotsi, LH Mervin, AM Afzal, N Sturm, O Engkvist, IP Barrett, ... Journal of chemical information and modeling 61 (3), 1444-1456, 2021 | 41 | 2021 |
| Bioinformatics: Concepts, methods, and data SW Robinson, AM Afzal, DP Leader Handbook of Pharmacogenomics and stratified medicine, 259-287, 2014 | 29 | 2014 |
| Comparison of scaling methods to obtain calibrated probabilities of activity for protein–ligand predictions LH Mervin, AM Afzal, O Engkvist, A Bender Journal of Chemical Information and Modeling 60 (10), 4546-4559, 2020 | 26 | 2020 |
| Maximizing gain in high-throughput screening using conformal prediction F Svensson, AM Afzal, U Norinder, A Bender Journal of cheminformatics 10, 1-10, 2018 | 25 | 2018 |
| 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 |
| The Parzen Window method: In terms of two vectors and one matrix HY Mussa, JBO Mitchell, AM Afzal Pattern recognition letters 63, 30-35, 2015 | 21 | 2015 |
| Probabilistic Random Forest improves bioactivity predictions close to the classification threshold by taking into account experimental uncertainty LH Mervin, MA Trapotsi, AM Afzal, IP Barrett, A Bender, O Engkvist Journal of Cheminformatics 13, 1-17, 2021 | 19 | 2021 |
| Bridging of anions by hydrogen bonds in nest motifs and its significance for Schellman loops and other larger motifs within proteins AM Afzal, F Al‐Shubailly, DP Leader, EJ Milner‐White Proteins: Structure, Function, and Bioinformatics 82 (11), 3023-3031, 2014 | 16 | 2014 |
| Prediction of UGT-mediated metabolism using the manually curated MetaQSAR database A Mazzolari, AM Afzal, A Pedretti, B Testa, G Vistoli, A Bender ACS medicinal chemistry letters 10 (4), 633-638, 2019 | 13 | 2019 |
| New associations between drug-induced adverse events in animal models and humans reveal novel candidate safety targets KA Giblin, D Basili, AM Afzal, L Rosenbrier-Ribeiro, N Greene, I Barrett, ... Chemical Research in Toxicology 34 (2), 438-451, 2020 | 12 | 2020 |
| Extending in Silico Protein Target Prediction Models to Include Functional Effects LH Mervin, AM Afzal, L Brive, O Engkvist, A Bender Frontiers in Pharmacology 9, 613, 2018 | 10 | 2018 |
| Information-derived mechanistic hypotheses for structural cardiotoxicity F Svensson, A Zoufir, S Mahmoud, AM Afzal, I Smit, KA Giblin, ... Chemical Research in Toxicology 31 (11), 1119-1127, 2018 | 8 | 2018 |
| Understanding Conditional Associations between ToxCast in Vitro Readouts and the Hepatotoxicity of Compounds Using Rule-Based Methods SY Mahmoud, F Svensson, A Zoufir, D Módos, AM Afzal, A Bender Chemical Research in Toxicology 33 (1), 137-153, 2019 | 6 | 2019 |
| Flexible Fitting of PROTAC Concentration–Response Curves with Changepoint Gaussian Processes E Semenova, ML Guerriero, B Zhang, A Hock, P Hopcroft, G Kadamur, ... SLAS DISCOVERY: Advancing the Science of Drug Discovery 26 (9), 1212-1224, 2021 | 5 | 2021 |
| Towards understanding antimicrobial activity, cytotoxicity and the mode of action of dichapetalins A and M using in silico and in vitro studies MA Chama, D Modos, LH Mervin, KBA Owusu, DM Ayine-Tora, B Egyir, ... Toxicon 193, 28-37, 2021 | 5 | 2021 |
