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RetroPlanner: Multi-Route Expansion and Multi-Objective Reasoning for LLM-Based Retrosynthesis Planning

Kim, Ye Rin et al.
arXiv (All) · Papers
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artificial-intelligencecomputation-and-languagemachine-learning
Multi-step retrosynthesis planning is often considered solved once a route to purchasable starting materials is found, but such a route should also be practical in real-world chemistry. Recent LLM-based planners formulate this process as sequential decision-making over an AND-OR graph, yet typically
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