| Literature DB >> 31490596 |
Xiaobo Qu1, Yihui Huang1, Hengfa Lu1, Tianyu Qiu1, Di Guo2, Tatiana Agback3, Vladislav Orekhov4, Zhong Chen1.
Abstract
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.Keywords: NMR spectroscopy; artificial intelligence; deep learning; fast sampling
Year: 2020 PMID: 31490596 DOI: 10.1002/anie.201908162
Source DB: PubMed Journal: Angew Chem Int Ed Engl ISSN: 1433-7851 Impact factor: 15.336