NMR-Solver: Automated Structure Elucidation via Large-Scale Spectral Matching and Physics-Guided Fragment Optimization.

Mon, 01 Sep 2025 01:00:00 +0200

Yong-Jin Liu, Junjie Wang, Fanjie Xu, Xiaohong Ji, Zhifeng Gao, Linfeng Zhang, Guolin Ke, Rong Zhu, Weinan E:
NMR-Solver: Automated Structure Elucidation via Large-Scale Spectral Matching and Physics-Guided Fragment Optimization. CoRR abs/2509.00640 (2025)