| A priori sub-grid modelling using artificial neural networks A Prat, T Sautory, S Navarro-Martinez International Journal of Computational Fluid Dynamics 34 (6), 397-417, 2020 | 19 | 2020 |
| System and method for de novo drug discovery A Pabrinkis, A Bucher, G Kamuntavi, A Prat, O Bastas, R Tal, CD Knuff US Patent 11,615,324, 2023 | 8 | 2023 |
| Accelerated hit identification with target evaluation, deep learning and automated labs: prospective validation in IRAK1 G Kamuntavičius, A Prat, T Paquet, O Bastas, HA Aty, Q Sun, ... Journal of Cheminformatics 16 (1), 127, 2024 | 4 | 2024 |
| HydraScreen: a generalizable structure-based deep learning approach to drug discovery A Prat, H Abdel Aty, O Bastas, G Kamuntavičius, T Paquet, ... Journal of Chemical Information and Modeling 64 (15), 5817-5831, 2024 | 4 | 2024 |
| System and method for molecular reconstruction and probability distributions using a 3D variational-conditioned generative adversarial network A Prat, A Bucher, Z Jocys, R Tal, CD Knuff US Patent 11,263,534, 2022 | 3 | 2022 |
| System and method for molecular reconstruction from molecular probability distributions A Prat, A Bucher, Z Jocys, R Tal US Patent App. 17/540,153, 2022 | 2 | 2022 |
| System and method for accelerating FEP methods using a 3D-restricted variational autoencoder A Bucher, A Prat, O Bastas, G Kamuntavicius, Z Yang, CD Knuff, Z Jocys, ... US Patent App. 17/828,533, 2022 | 1 | 2022 |
| Toxic substructure extraction using clustering and scaffold extraction G Kamuntavicius, A Pabrinkis, O Bastas, A Bucher, A Prat, M Demtchenko, ... US Patent 11,367,006, 2022 | 1 | 2022 |
| System and method for prediction of protein-ligand bioactivity using point-cloud machine learning A Bucher, A Prat, O Bastas, A Pabrinkis, G Kamuntavi, M Demtchenko, ... US Patent 11,256,995, 2022 | 1 | 2022 |
| PERIL: Probabilistic embeddings for hybrid meta-reinforcement and imitation learning A Prat, E Johns | 1 | 2021 |
| SE (3) Equivariant Topologies for Structure-based Drug Discovery A Prat, HA Aty, A Pabrinkis, O Bastas, T Paquet, G Kamuntavičius, R Tal | | 2024 |
| Benchmarking ML in ADMET predictions: the practical impact of feature representations in ligand-based models G Kamuntavičius, T Paquet, O Bastas, A Prat, H Abdel Aty, P Norvaišas, ... | | 2024 |
| System and method for de novo drug discovery A Pabrinkis, A Bucher, G Kamuntavicius, A Prat, O Bastas, Z Jocys, R Tal, ... US Patent App. 18/189,861, 2023 | | 2023 |
| System and method for the latent space optimization of generative machine learning models A Bucher, G Kamuntavicius, A Prat, O Bastas, Z Jocys, R Tal US Patent App. 18/186,495, 2023 | | 2023 |
| Prospective Validation of HydraScreen: Virtual Screening and Hit Identification in IRAK1 G Kamuntavičius, A Prat, T Paquet, O Bastas, HA Aty, Q Sun, D Rines, ... | | 2023 |
| System and method for pharmacophore-conditioned generation of molecules A Prat, A Bucher, R Tal US Patent App. 18/161,879, 2023 | | 2023 |
| Latent Space Optimization for Generative Machine Learning in Drug Design A Bucher, G Kamuntavicius, A Prat, O Bastas, Z Jocys, R Tal US Patent App. 17/865,834, 2022 | | 2022 |
| System and method for feedback-driven automated drug discovery P Norvaisas, R Tal, Z Jocys, CD Knuff, A Prat, G Kamuntavicius, HA Aty, ... US Patent App. 17/845,813, 2022 | | 2022 |
| System and method for automated retrosynthesis A Prat, G Kamuntavicius, A Bucher, Z Jocys, R Tal US Patent 11,354,582, 2022 | | 2022 |
| Discovery of a Novel Allosteric Inhibitor PK-188 Targeting New Delhi Metallo-β Lactamases. P Kavaliauskas, D Tondi, L Cendron, B Grybaite, K Anusevicius, ... 32nd European Congress of Clinical Microbiology and Infectious Diseases., 2022 | | 2022 |
Théophile SautoryUniversity of California, Berkeley在 berkeley.edu 的电子邮件经过验证
