A Very Deep Graph Convolutional Network for<sup>13</sup>C NMR Chemical Shift Calculations with Density Functional Theory Level Performance for Structure Assignment

Wen-Jing Ai(Central South University), Wen‐Xuan Wang(Central South University), Gui‐Shan Tan(U.S. National Science Foundation), Fenghua Kang(Central South University), Dongsheng Cao(Central South University), Jing Li(Xiangya Hospital Central South University), Yan Li(University of Shanghai for Science and Technology), Kang Xu(Carnegie Mellon University), Shao Liu(Central South University), Xia Yu(Northeast Agricultural University), Yi-Yun Yuan(Central South University), Zhen‐Xing Zou(Central South University)
Journal of Natural Products
February 15, 2024
Cited by 26


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