Author

Xiaoqi Sun

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Preprint Jul 2026

RetroAgent: Harnessing LLMs to Search Over Structured Memory for Agentic Retrosynthesis Planning

RetroAgent is introduced, an LLM agent that bridges symbolic search and neural reasoning through a harness with structured memory, enabling informed decisions grounded in both global progress and domain knowledge in multi-step retrosynthesis planning.

Yanqiao Zhu, Jingru Gan, Xiaoqi Sun et al. · 1 citation