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arXiv 1904.05168physics.med-phcs.AIcs.LGmath.SPphysics.bio-ph

Accelerated Nuclear Magnetic Resonance Spectroscopy with Deep Learning

Xiamen University(厦门大学);Xiamen University of Technology(厦门理工学院);Swedish University of Agricultural Sciences(瑞典农业科学大学);University of Gothenburg(哥德堡大学)

Xiaobo Qu, Yihui Huang, Hengfa Lu, Tianyu Qiu, Di Guo, Tatiana Agback, Vladislav Orekhov, Zhong Chen

英文摘要:

Nuclear magnetic resonance (NMR) spectroscopy serves as an indispensable tool in chemistry and biology but often suffers from long experimental time. We present a proof-of-concept of application of deep learning and neural network for high-quality, reliable, and very fast NMR spectra reconstruction from limited experimental data. We show that the neural network training can be achieved using solely synthetic NMR signal, which lifts the prohibiting demand for a large volume of realistic training data usually required in the deep learning approach.

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