Analytical chemistryMagnetic Resonance SpectroscopyMolecular Structure
NMRMind: A Transformer-Based Model Enabling the Elucidation from Multidimensional NMR to Structures.
Xi Xue, Hanyu Sun, Jingying Sun, Luc Patiny, Xiangying Liu, Kai Chen, Jingjie Yan, Liangning Li, Xue Liu, Shu Xu, Dongming Zhang, Yafeng Deng, Yingda Zang, Yaling Gong, Jie Ma
Published: 202510.1021/acs.analchem.5c03783
Abstract
Nuclear magnetic resonance (NMR) data provides rich quantum information on molecular structure, which is closely related to chemical structure and widely used for structural characterization in chemical discovery. Despite substantial advances in spec…
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