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机译:DrugEx v3: scaffold-constrained drug design with graph transformer-based reinforcement learning
Leiden Acad Ctr Drug Res;
Xi An Jiao Tong Univ;
Janssen Pharmaceut NV;
Deep learning; Reinforcement learning; Policy gradient; Drug design; Transformer; Multi-objective optimization; Adenosine A(2A) receptor; ADENOSINE RECEPTORS; DISCOVERY; TOOL;