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
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System and method for prediction of protein-ligand bioactivity and pose propriety
Pabrinkis, Aurimas, Knuff, Charles Dazler, Yang, Zeyu, Bucher, Alwin, Bastas, Orestis, Jo{hacek over (c)}ys, {hacek over (Z)}ygimantas, Demtchenko, Mikhail, Jamieson, Cooper Stergis, Tal, Roy
Year of Publication 22.02.2022
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Year of Publication 22.02.2022
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System and method for prediction of protein-ligand interactions and their bioactivity
Pabrinkis, Aurimas, Knuff, Charles Dazler, Yang, Zeyu, Joĉys, {circumflex over (Z)}ygimantas, Bucher, Alwin, Bastas, Orestis, Demtchenko, Mikhail, Jamieson, Cooper Stergis, Tal, Roy
Year of Publication 16.11.2021
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Year of Publication 16.11.2021
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System and method for prediction of protein-ligand bioactivity using point-cloud machine learning
Pabrinkis, Aurimas, Knuff, Charles Dazler, Macer, Sam Christian, Yang, Zeyu, Bucher, Alwin, Prat, Alvaro, Bastas, Orestis, Jo{hacek over (c)}ys, {hacek over (Z)}ygimantas, Kamuntavi{hacek over (c)}ius, Gintautas, Demtchenko, Mikhail, Jamieson, Cooper Stergis, Tal, Roy
Year of Publication 22.02.2022
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Year of Publication 22.02.2022
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