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SMART‐Miner: A convolutional neural network‐based metabolite identification from 1H‐13C HSQC spectra.
- Source :
-
Magnetic Resonance in Chemistry . Nov2022, Vol. 60 Issue 11, p1070-1075. 6p. - Publication Year :
- 2022
-
Abstract
- The identification of metabolites from complex biofluids and extracts of tissues is an essential process for understanding metabolic profiles. Nuclear magnetic resonance (NMR) spectroscopy is widely used in metabolomics studies for identification and quantification of metabolites. However, the accurate identification of individual metabolites is still a challenging process with higher peak intensity or similar chemical shifts from different metabolites. In this study, we applied a convolutional neural network (CNN) to 1H‐13C HSQC NMR spectra to achieve accurate peak identification in complex mixtures. The results reveal that the neural network was successfully trained on metabolite identification from these 2D NMR spectra and achieved very good performance compared with other NMR‐based metabolomic tools. [ABSTRACT FROM AUTHOR]
- Subjects :
- *CONVOLUTIONAL neural networks
*NUCLEAR magnetic resonance
*TISSUE extracts
Subjects
Details
- Language :
- English
- ISSN :
- 07491581
- Volume :
- 60
- Issue :
- 11
- Database :
- Academic Search Index
- Journal :
- Magnetic Resonance in Chemistry
- Publication Type :
- Academic Journal
- Accession number :
- 159653080
- Full Text :
- https://doi.org/10.1002/mrc.5240