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

Xuhan LiuKai YeHerman W. T. van VlijmenMichael T. M. EmmerichAdriaan P. IJzermanGerard J. P. van Westen
Published in: J. Cheminformatics (2021)
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