| De novo generation of hit-like molecules from gene expression signatures using artificial intelligence O Méndez-Lucio, B Baillif, DA Clevert, D Rouquié, J Wichard Nature communications 11 (1), 10, 2020 | 299 | 2020 |
| Deep generative models for 3D molecular structure B Baillif, J Cole, P McCabe, A Bender Current Opinion in Structural Biology 80, 102566, 2023 | 30 | 2023 |
| Exploring the use of compound-induced transcriptomic data generated from cell lines to predict compound activity toward molecular targets B Baillif, J Wichard, O Méndez-Lucio, D Rouquié Frontiers in Chemistry 8, 296, 2020 | 24 | 2020 |
| De novo generation of hit-like molecules from gene expression signatures using artificial intelligence. Nat Commun 11: 1–10 O Méndez-Lucio, B Baillif, DA Clevert, D Rouquié, J Wichard | 5 | 2020 |
| Benchmarking structure-based three-dimensional molecular generative models using GenBench3D: ligand conformation quality matters B Baillif, J Cole, P McCabe, A Bender arXiv preprint arXiv:2407.04424, 2024 | 2 | 2024 |
| Applying atomistic neural networks to bias conformer ensembles towards bioactive-like conformations B Baillif, J Cole, I Giangreco, P McCabe, A Bender Journal of Cheminformatics 15 (1), 124, 2023 | | 2023 |