Bridging LLM Reasoning and Chemical Knowledge via an Evolutionary Multi-Agent Framework for Molecular Synthesis (opens in new tab)

Molecular design faces the dual challenge of navigating a vast chemical space while ensuring experimental synthesizability. Traditional models are constrained by small datasets, restricting their scalability and broader chemical context. In contrast, Large Language Models (LLMs) encapsulate extensive synthesis protocols derived from vast scientific literature, yet they struggle to leverage this potential due to severe hallucinations and a superficial grasp of rigorous chemical logic. We propo...