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Tymofii Yu. Nikolaienko

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2022
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Tymofii Yu. Nikolaienko, Oleksandr Gurbych, Maksym Druchok:
Complex machine learning model needs complex testing: Examining predictability of molecular binding affinity by a graph neural network. J. Comput. Chem. 43(10): 728-739 (2022)
2021
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Maksym Druchok, Dzvenymyra Yarish, Sofiya Garkot, Tymofii Yu. Nikolaienko, Oleksandr Gurbych:
Ensembling machine learning models to boost molecular affinity prediction. Comput. Biol. Chem. 93: 107529 (2021)
2018
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Tymofii Yu. Nikolaienko, Eugene S. Kryachko, Grygoriy A. Dolgonos:
On the Existence of HeHe Bond in the Endohedral Fullerene Hе2@C60. J. Comput. Chem. 39(18): 1090-1102 (2018)

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