| 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 | 36 | 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 | 29 | 2020 |
| 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 | 12 | 2023 |
| Improved Early Detection of Drug-Induced Liver Injury by Integrating Predicted in Vivo and in Vitro Data S Seal, DP Williams, L Hosseini-Gerami, O Spjuth, A Bender bioRxiv, 2024.01. 10.575128, 2024 | 2 | 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 | 2 | 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 |
| 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, 2024 | 1 | 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 |
| 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 | | 2023 |
| MAVEN: Compound mechanism of action analysis and visualisation using transcriptomics and compound structure data in R/Shiny A Bender, L Hosseini-Gerami BMC, 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 |
| 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 | | 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 |
