HydraScreen: A Generalizable Structure-Based Deep Learning Approach to Drug Discovery
Prat, Alvaro, Abdel Aty, Hisham, Bastas, Orestis, Kamuntavičius, Gintautas, Paquet, Tanya, Norvaišas, Povilas, Gasparotto, Piero, Tal, Roy
Published in Journal of chemical information and modeling (12.08.2024)
Published in Journal of chemical information and modeling (12.08.2024)
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Journal Article
Phenomenology of the nucleon-nucleon potential
Kamuntavičius, Gintautas P., Kaminskas, Marius
Published in Central European journal of physics (01.12.2010)
Published in Central European journal of physics (01.12.2010)
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Journal Article
HydraScreen: A Generalizable Structure-Based Deep Learning Approach to Drug Discovery
Prat, Alvaro, Aty, Hisham Abdel, Kamuntavičius, Gintautas, Paquet, Tanya, Norvaišas, Povilas, Gasparotto, Piero, Tal, Roy
Year of Publication 22.09.2023
Year of Publication 22.09.2023
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Journal Article
SYSTEM AND METHOD FOR AUTOMATED RETROSYNTHESIS
Kamuntavicius, Gintautas, Jocys, Zygimantas, Prat, Alvaro, Bucher, Alwin, Tal, Roy
Year of Publication 16.06.2022
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Year of Publication 16.06.2022
Patent
System and method for automated retrosynthesis
Kamuntavicius, Gintautas, Jocys, Zygimantas, Prat, Alvaro, Bucher, Alwin, Tal, Roy
Year of Publication 07.06.2022
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Year of Publication 07.06.2022
Patent
SYSTEM AND METHOD FOR THE LATENT SPACE OPTIMIZATION OF GENERATIVE MACHINE LEARNING MODELS
Kamuntavicius, Gintautas, Jocys, Zygimantas, Bucher, Alwin, Prat, Alvaro, Bastas, Orestis, Tal, Roy
Year of Publication 21.09.2023
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Year of Publication 21.09.2023
Patent
System and method for the latent space optimization of generative machine learning models
Kamuntavicius, Gintautas, Jocys, Zygimantas, Bucher, Alwin, Prat, Alvaro, Bastas, Orestis, Tal, Roy
Year of Publication 21.03.2023
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Year of Publication 21.03.2023
Patent
SYSTEM AND METHOD FOR DE NOVO DRUG DISCOVERY
Pabrinkis, Aurimas, Kamuntavicius, Gintautas, Jocys, Zygimantas, Knuff, Charles Dazler, Bucher, Alwin, Prat, Alvaro, Bastas, Orestis, Tal, Roy
Year of Publication 12.10.2023
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Year of Publication 12.10.2023
Patent
SYSTEM AND METHOD FOR THE LATENT SPACE OPTIMIZATION OF GENERATIVE MACHINE LEARNING MODELS
Kamuntavicius, Gintautas, Jocys, Zygimantas, Bucher, Alwin, Prat, Alvaro, Bastas, Orestis, Tal, Roy
Year of Publication 10.11.2022
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Year of Publication 10.11.2022
Patent
SYSTEM AND METHOD FOR DE NOVO DRUG DISCOVERY
Pabrinkis, Aurimas, Kamuntavicius, Gintautas, Jocys, Zygimantas, Knuff, Charles Dazler, Bucher, Alwin, Prat, Alvaro, Bastas, Orestis, Tal, Roy
Year of Publication 16.06.2022
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Year of Publication 16.06.2022
Patent
Toxic substructure extraction using clustering and scaffold extraction
Kamuntavicius, Gintautas, Pabrinkis, Aurimas, Jocys, Zygimantas, Knuff, Charles Dazler, Macer, Sam Christian, Bucher, Alwin, Prat, Alvaro, Bastas, Orestis, Demtchenko, Mikhail, Tal, Roy
Year of Publication 21.06.2022
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Year of Publication 21.06.2022
Patent
Toxic Substructure Extraction Using Clustering and Scaffold Extraction
Kamuntavicius, Gintautas, Pabrinkis, Aurimas, Jocys, Zygimantas, Knuff, Charles Dazler, Macer, Sam Christian, Bucher, Alwin, Prat, Alvaro, Bastas, Orestis, Demtchenko, Mikhail, Tal, Roy
Year of Publication 16.06.2022
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Year of Publication 16.06.2022
Patent