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Toward efficient generation, correction, and properties control of unique drug-like structures.
Maksym Druchok
Dzvenymyra Yarish
Oleksandr Gurbych
Mykola Maksymenko
Published in:
J. Comput. Chem. (2021)
Keyphrases
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multiscale
structural properties
optimal control
control method
physico chemical
neural network
machine learning
computer vision
computationally efficient
control strategy
adaptive control
topological properties