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Peng-Cheng Zhao

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Open access Sep 2026

DFRL-Mol: a dual-stage framework of reinforcement learning for multi-scenario molecule optimization

Comparisons with state-of-the-art methods demonstrate the enhanced performance of DFRL-Mol in multiple scenarios of molecule optimization, including SO optimization, substructure-constrained (SC) SO optimization, MO optimization, and MO molecule generation.

Zhen-Yi Wu, Peng-Cheng Zhao, Jia-Ning Li et al. · Briefings in Bioinformatics · 0 citations