"Complex machine learning model needs complex testing: Examining ..."

Tymofii Yu. Nikolaienko, Oleksandr Gurbych, Maksym Druchok (2022)

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DOI: 10.1002/JCC.26831

access: closed

type: Journal Article

metadata version: 2022-08-16

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  - https://dblp.org/rec/journals/jcc/NikolaienkoGD22
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)

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