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Qu X, Huang Y, Lu H, Qiu T, Guo D, Agback T, Orekhov V, Chen Z
Angew. Chem. Int. Ed. Engl. 59 (26) 10297-10300 [2020-06-22; online 2020-04-15]
Nuclear magnetic resonance (NMR) spectroscopy serves as an indispensable tool in chemistry and biology but often suffers from long experimental times. We present a proof-of-concept of the application of deep learning and neural networks 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 signals, which lifts the prohibiting demand for a large volume of realistic training data usually required for a deep learning approach.
Swedish NMR Centre (SNC) [Collaborative]
PubMed 31490596
DOI 10.1002/anie.201908162
Crossref 10.1002/anie.201908162