一作ACL 2026Findings· Findings of ACL
AOT *: Efficient Synthesis Planning via LLM -Empowered AND - OR Tree Search
Xiaozhuang Song · Xuanhao Pan · Xinjian Zhao · Hangting Ye · Shufei Zhang · Jian Tang · Tianshu Yu
摘要
Retrosynthesis planning enables the discovery of viable synthetic routes for target molecules, playing a crucial role in domains like drug discovery and materials design. Multi-step retrosynthetic planning remains computationally challenging due to exponential search spaces and inference costs. W...