| Computational analyses of mechanism of action (MoA): data, methods and integration MA Trapotsi, L Hosseini-Gerami, A Bender RSC chemical biology 3 (2), 170-200, 2022 | 50 | 2022 |
| Predicting pKa Using a Combination of Semi-Empirical Quantum Mechanics and Radial Basis Function Methods P Hunt, L Hosseini-Gerami, T Chrien, J Plante, DJ Ponting, M Segall Journal of Chemical Information and Modeling 60 (6), 2989-2997, 2020 | 33 | 2020 |
| Insights into Drug Cardiotoxicity from Biological and Chemical Data: The First Public Classifiers for FDA Drug-Induced Cardiotoxicity Rank S Seal, O Spjuth, L Hosseini-Gerami, M García-Ortegón, S Singh, ... Journal of Chemical Information and Modeling 64 (4), 1172-1186, 2024 | 20 | 2024 |
| Benchmarking causal reasoning algorithms for gene expression-based compound mechanism of action analysis L Hosseini-Gerami, IA Higgins, DA Collier, E Laing, D Evans, ... BMC bioinformatics 24 (1), 154, 2023 | 14 | 2023 |
| Improved Detection of Drug-Induced Liver Injury by Integrating Predicted In Vivo and In Vitro Data S Seal, D Williams, L Hosseini-Gerami, M Mahale, AE Carpenter, ... Chemical Research in Toxicology 37 (8), 1290-1305, 2024 | 8 | 2024 |
| In silico prediction and biological assessment of novel angiogenesis modulators from traditional Chinese medicine Y Zhu, H Yang, L Han, LH Mervin, L Hosseini-Gerami, P Li, P Wright, ... Frontiers in Pharmacology 14, 1116081, 2023 | 4 | 2023 |
| Predicting pKa using a combination of quantum mechanical and machine learning methods P Hunt, L Hosseini-Gerami, T Chrien, J Plante, DJ Ponting, M Segall Journal of Chemical Information and Modeling 60, 2989-2997, 2020 | 2 | 2020 |
| MAVEN: compound mechanism of action analysis and visualisation using transcriptomics and compound structure data in R/Shiny L Hosseini-Gerami, R Hernansaiz Ballesteros, A Liu, H Broughton, ... BMC bioinformatics 24 (1), 344, 2023 | 1 | 2023 |
| Advancing predictive toxicology: overcoming hurdles and shaping the future S Masarone, KV Beckwith, MR Wilkinson, S Tuli, A Lane, S Windsor, ... Digital Discovery, 2025 | | 2025 |
| P05-44 SAFEPATH: Using AI to understand the molecular mechanisms causing safety failures, enabling drug optimisation and turnaround L Hosseini-Gerami, J Lane, S Masarone, M Wilkinson, S Windsor Toxicology Letters 399, S149, 2024 | | 2024 |
| Improved Detection of Drug-Induced Liver Injury by Integrating Predicted In Vivo and In Vitro Data D Williams, L Hosseini-Gerami American Chemical Society, 2024 | | 2024 |
| A day in the life of a chief data science officer and co-founder of Ignota Labs L Hosseini-Gerami The Biochemist 46 (2), 47-49, 2024 | | 2024 |
| Insights into Drug Cardiotoxicity from Biological and Chemical Data: The First Public Classifiers for FDA Drug-Induced Cardiotoxicity Rank O Spjuth, L Hosseini-Gerami, S Singh American Chemical Society, 2024 | | 2024 |
| Using SAFEPATH to Uncover a Novel Mechanism of Hepatotoxicity for Gefitinib L Hosseini-Gerami, S Masarone, J Lane bioRxiv, 2024.07. 31.605988, 2024 | | 2024 |
| Insights into Drug Cardiotoxicity from Biological and Chemical Data: The First Public Classifiers for FDA DICTrank S Seal, O Spjuth, L Hosseini-Gerami, M García-Ortegón, S Singh, ... BioRxiv, 2023 | | 2023 |
| Mechanism of action deconvolution of the small-molecule pathological tau aggregation inhibitor Anle138b L Hosseini-Gerami, E Ficulle, N Humphryes-Kirilov, DC Airey, ... Alzheimer's Research & Therapy 15 (1), 52, 2023 | | 2023 |
| Using biological and chemical information to improve understanding of drug mechanism of action on the systems-level L Hosseini-Gerami University of Cambridge, 2022 | | 2022 |
| P125-Predicting PKA using a combination of quantum and machine learning methods P Hunt, L Hosseini-Gerami, T Chrien, M Segall Drug Metabolism and Pharmacokinetics 35 (1), S60, 2020 | | 2020 |
| Combining Quantum and QSAR Methods for the Prediction of Acid Dissociation Constants L Hosseini-Gerami, R Leth, P Hunt, M Segall ABSTRACTS OF PAPERS OF THE AMERICAN CHEMICAL SOCIETY 253, 2017 | | 2017 |
| MAVEN: An R/Shiny app for compound mechanism of action analysis and visualisation using transcriptomics and compound structure data L Hosseini-Gerami, H Broughton, DA Collier, A Bender | | |
