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机译:DrugEx v2: de novo design of drug molecules by Pareto-based multi-objective reinforcement learning in polypharmacology
Drug Discovery and Safety, Leiden Academic Centre for Drug Research;
School of Electronics and Information Engineering, Xi’an Jiaotong University;
Janssen Pharmaceutica NVLeiden Institute of Advanced Computer Science;
Deep learning; Adenosine receptors; Cheminformatics; Reinforcement learning; Multi-objective optimization; Exploration strategy;