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Retrosynthesis planning on USPTO Easy

100Solve RateLLM-Syn-Planner
52.6864.96577.2589.535May 11, 2025

Evaluation results

MethodLinks
LLM-Syn-PlannerBackbone=GPT-4o, N=5002025.05100
LLM-Syn-PlannerBackbone=DeepSeek-V3, N=5002025.05100
LLM-Syn-PlannerBackbone=GPT-4o, N=3002025.0599.5
LLM-Syn-PlannerBackbone=DeepSeek-V3, N=3002025.0599.5
RootAlignedSearch Strategy=Retro*, N=1002025.0599
RootAlignedSearch Strategy=Retro*, N=3002025.0599
RootAlignedSearch Strategy=Retro*, N=5002025.0599
RootAlignedSearch Strategy=MCTS, N=3002025.0598.5
RootAlignedSearch Strategy=MCTS, N=5002025.0598.5
RootAlignedSearch Strategy=MCTS, N=1002025.0598
LocalRetroSearch Strategy=Retro*, N=5002025.0598
Graph2EditsSearch Strategy=Retro*, N=5002025.0597.5
LocalRetroSearch Strategy=Retro*, N=3002025.0597.5
Graph2EditsSearch Strategy=MCTS, N=5002025.0596.5
LocalRetroSearch Strategy=MCTS, N=5002025.0595.5
Graph2EditsSearch Strategy=Retro*, N=3002025.0595.5
LocalRetroSearch Strategy=Retro*, N=1002025.0595.5
LocalRetroSearch Strategy=MCTS, N=3002025.0594.5
Graph2EditsSearch Strategy=MCTS, N=3002025.0593.5
LLM-Syn-PlannerBackbone=DeepSeek-V3, N=1002025.0593
LocalRetroSearch Strategy=MCTS, N=1002025.0592.5
Graph2EditsSearch Strategy=Retro*, N=1002025.0592
LLM-Syn-PlannerBackbone=GPT-4o, N=1002025.0591
Graph2EditsSearch Strategy=MCTS, N=1002025.0590
LLMSearch Strategy=MCTS, N=5002025.0575.5
LLMSearch Strategy=Retro*, N=5002025.0575.5
LLMSearch Strategy=Retro*, N=3002025.0569
LLMSearch Strategy=MCTS, N=3002025.0568.5
LLMSearch Strategy=Retro*, N=1002025.0556
LLMSearch Strategy=MCTS, N=1002025.0554.5