| 12223435 |
System and method for molecular reconstruction from molecular probability distributions |
Alvaro Prat, Zygimantas Jocys, Roy Tal |
2025-02-11 |
| 11615324 |
System and method for de novo drug discovery |
Aurimas Pabrinkis, Gintautas Kamuntavi{hacek over (c)}ius, Alvaro Prat, Orestis Bastas, {hacek over (Z)}ygimantas Jo{hacek over (c)}ys +2 more |
2023-03-28 |
| 11610139 |
System and method for the latent space optimization of generative machine learning models |
Gintautas Kamuntavicius, Alvaro Prat, Orestis Bastas, Zygimantas Jocys, Roy Tal |
2023-03-21 |
| 11568961 |
System and method for accelerating FEP methods using a 3D-restricted variational autoencoder |
Alvaro Prat, Orestis Bastas, Gintautas Kamuntavicius, Zeyu Yang, Charles Dazler Knuff +3 more |
2023-01-31 |
| 11367006 |
Toxic substructure extraction using clustering and scaffold extraction |
Gintautas Kamuntavicius, Aurimas Pabrinkis, Orestis Bastas, Alvaro Prat, Mikhail Demtchenko +4 more |
2022-06-21 |
| 11354582 |
System and method for automated retrosynthesis |
Alvaro Prat, Gintautas Kamuntavicius, Zygimantas Jocys, Roy Tal |
2022-06-07 |
| 11263534 |
System and method for molecular reconstruction and probability distributions using a 3D variational-conditioned generative adversarial network |
Alvaro Prat, Zygimantas Jocys, Roy Tal, Charles Dazler Knuff |
2022-03-01 |
| 11256995 |
System and method for prediction of protein-ligand bioactivity using point-cloud machine learning |
Alvaro Prat, Orestis Bastas, Aurimas Pabrinkis, Gintautas Kamuntavi{hacek over (c)}ius, Mikhail Demtchenko +6 more |
2022-02-22 |
| 11256994 |
System and method for prediction of protein-ligand bioactivity and pose propriety |
Aurimas Pabrinkis, Orestis Bastas, Mikhail Demtchenko, Zeyu Yang, Cooper Stergis Jamieson +3 more |
2022-02-22 |
| 11176462 |
System and method for prediction of protein-ligand interactions and their bioactivity |
Orestis Bastas, Aurimas Pabrinkis, Mikhail Demtchenko, Zeyu Yang, Cooper Stergis Jamieson +3 more |
2021-11-16 |