DrugEx v2: de novo design of drug molecules by Pareto-based multi-objective reinforcement learning in polypharmacology - researchr publication authors

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Xuhan Liu, Kai Ye, Herman W. T. van Vlijmen, Michael T. M. Emmerich, Adriaan P. IJzerman, Gerard J. P. van Westen. DrugEx v2: de novo design of drug molecules by Pareto-based multi-objective reinforcement learning in polypharmacology. J. Cheminformatics, 13(1):85, 2021. [doi]

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