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System and method for feedback-driven automated drug discovery |
Povilas Norvaisas, Roy Tal, Zygimantas Jocys, Charles Dazler Knuff, Gintautas Kamuntavicius +3 more |
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| 12223435 |
System and method for molecular reconstruction from molecular probability distributions |
Alwin Bucher, Zygimantas Jocys, Roy Tal |
2025-02-11 |
| 11615324 |
System and method for de novo drug discovery |
Aurimas Pabrinkis, Alwin Bucher, Gintautas Kamuntavi{hacek over (c)}ius, 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 |
Alwin Bucher, Gintautas Kamuntavicius, Orestis Bastas, Zygimantas Jocys, Roy Tal |
2023-03-21 |
| 11568961 |
System and method for accelerating FEP methods using a 3D-restricted variational autoencoder |
Alwin Bucher, 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, Alwin Bucher, Mikhail Demtchenko +4 more |
2022-06-21 |
| 11354582 |
System and method for automated retrosynthesis |
Gintautas Kamuntavicius, Alwin Bucher, 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 |
Alwin Bucher, 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 |
Alwin Bucher, Orestis Bastas, Aurimas Pabrinkis, Gintautas Kamuntavi{hacek over (c)}ius, Mikhail Demtchenko +6 more |
2022-02-22 |