Accelerated Nuclear Magnetic Resonance Spectroscopy with Deep Learning

April 09, 2019 Β· Declared Dead Β· πŸ› Angewandte Chemie

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Authors Xiaobo Qu, Yihui Huang, Hengfa Lu, Tianyu Qiu, Di Guo, Tatiana Agback, Vladislav Orekhov, Zhong Chen arXiv ID 1904.05168 Category physics.med-ph Cross-listed cs.AI, cs.LG, math.SP, physics.bio-ph Citations 160 Venue Angewandte Chemie Last Checked 3 months ago
Abstract
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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