R3: End-to-End Reasoning-based Planning for Multi-step Retrosynthesis via Reinforcement Learning (2026.acl-long)
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YiFei Wang, Qizhi Pei, Jiangtao Feng, Yuntian Shi, Yi Duan, Lihao Wang, Lei Bai, Lijun Wu, Wei-Ying Ma, Hao Zhou
| Challenge: | Experimental results show that R3 is a superior alternative to traditional search algorithms for multistep retrosynthesis planning. |
| Approach: | They propose a framework that reformulates multistep retrosynthetic planning as a generative reasoning task. |
| Outcome: | The proposed framework achieves state-of-the-art Top-1 accuracy of 43.7% on retrobench . it leverages Large Language Models to reformulate multistep retrosynthesis as a generative reasoning task. |
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