| 12248885 |
System and method for feedback-driven automated drug discovery |
Povilas Norvaisas, Roy Tal, Zygimantas Jocys, Charles Dazler Knuff, Alvaro Prat +3 more |
2025-03-11 |
| 11615324 |
System and method for de novo drug discovery |
Aurimas Pabrinkis, Alwin Bucher, Gintautas Kamuntavi{hacek over (c)}ius, Alvaro Prat, {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 |
Alwin Bucher, Gintautas Kamuntavicius, Alvaro Prat, Zygimantas Jocys, Roy Tal |
2023-03-21 |
| 11568961 |
System and method for accelerating FEP methods using a 3D-restricted variational autoencoder |
Alwin Bucher, Alvaro Prat, 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, Alwin Bucher, Alvaro Prat, Mikhail Demtchenko +4 more |
2022-06-21 |
| 11256995 |
System and method for prediction of protein-ligand bioactivity using point-cloud machine learning |
Alwin Bucher, Alvaro Prat, 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 |
Alwin Bucher, Aurimas Pabrinkis, 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 |
Alwin Bucher, Aurimas Pabrinkis, Mikhail Demtchenko, Zeyu Yang, Cooper Stergis Jamieson +3 more |
2021-11-16 |