Category:
Theoretical and Computational Chemistry
,
Working Paper
, Title:
DrugEx v2: De Novo Design of Drug Molecule by Pareto-based Multi-Objective Reinforcement Learning in Polypharmacology
, Authors:
Xuhan Liu, Kai Ye, Herman Van Vlijmen, Michael T. M. Emmerich, Adriaan P. IJzerman, Gerard van Westen
Version 2 posted 27 April 2021
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