Yunpeng Zhao

Towards Generalizable and Evidential Nuclear Magnetic Resonance-Based Molecular Structure Elucidation via Large Language Model Agent

Zheng Fang, Chen Yang, Yusen Tan, Yunpeng Zhao, Fanjie Xu, Hongxin Xiang, et al.

Nuclear Magnetic Resonance (NMR) spectroscopy is the gold standard for molecular structure elucidation, yet interpreting complex spectra for unknown molecules remains a bottleneck reliant on human expertise. While artificial intelligence has advanced this field, current methods f…Read more