| Ensembling machine learning models to boost molecular affinity prediction M Druchok, D Yarish, S Garkot, T Nikolaienko, O Gurbych Computational Biology and Chemistry 93, 107529, 2021 | 16 | 2021 |
| Toward efficient generation, correction, and properties control of unique drug‐like structures M Druchok, D Yarish, O Gurbych, M Maksymenko Journal of Computational Chemistry 42 (11), 746-760, 2021 | 9 | 2021 |
| Advancing molecular graphs with descriptors for the prediction of chemical reaction yields D Yarish, S Garkot, OO Grygorenko, DS Radchenko, YS Moroz, ... Journal of Computational Chemistry 44 (2), 76-92, 2023 | 7 | 2023 |
| High throughput screening with machine learning O Gurbych, M Druchok, D Yarish, S Garkot arXiv preprint arXiv:2012.08275, 2020 | 3 | 2020 |
