Molecular MR Multiplayer: a cross-platform collaborative interactive game for scientists. - Semen Frish; Maksym Druchok; Hlib Shchur (VRST, 2020)

High throughput screening with machine learning. - Oleksandr Gurbych; Maksym Druchok; Dzvenymyra Yarish; Sofiya Garkot (CoRR, 2020)

Ensembling machine learning models to boost molecular affinity prediction. - Maksym Druchok; Dzvenymyra Yarish; Sofiya Garkot; Tymofii Yu. Nikolaienko; Oleksandr Gurbych (Comput. Biol. Chem., 2021)

Toward efficient generation, correction, and properties control of unique drug-like structures. - Maksym Druchok; Dzvenymyra Yarish; Oleksandr Gurbych; Mykola Maksymenko (J. Comput. Chem., 2021)

Complex machine learning model needs complex testing: Examining predictability of molecular binding affinity by a graph neural network. - Tymofii Yu. Nikolaienko; Oleksandr Gurbych; Maksym Druchok (J. Comput. Chem., 2022)

Machine learning-assisted search for novel coagulants: When machine learning can be efficient even if data availability is low. - Andrij A. Rovenchak; Maksym Druchok (J. Comput. Chem., 2024)