CloudBrain-NMR: An Intelligent Cloud Computing Platform for NMR Spectroscopy Processing, Reconstruction and Analysis

Nuclear Magnetic Resonance (NMR) spectroscopy has served as a powerful analytical tool for studying molecular structure and dynamics in chemistry and biology. However, the processing of raw data acquired from NMR spectrometers and subsequent quantitative analysis involves various specialized tools,...

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Bibliographic Details
Published in:IEEE transactions on instrumentation and measurement 2024-01, Vol.73, p.1-1
Main Authors: Guo, Di, Li, Sijin, Liu, Jun, Tu, Zhangren, Qiu, Tianyu, Xu, Jingjing, Feng, Liubin, Lin, Donghai, Hong, Qing, Lin, Meijin, Lin, Yanqin, Qu, Xiaobo
Format: Article
Language:English
Subjects:
Algorithms
Artificial intelligence
Central processing units
Cloud computing
CPUs
Data acquisition
Deep learning
Dynamic structural analysis
Graphics processing units
Image reconstruction
Machine learning
magnetic resonance spectroscopy
Molecular structure
NMR
NMR spectroscopy
Nuclear magnetic resonance
processing
Quantitative analysis
Reconstruction
Software
Spectrometers
Spectroscopic analysis
Training
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Summary:Nuclear Magnetic Resonance (NMR) spectroscopy has served as a powerful analytical tool for studying molecular structure and dynamics in chemistry and biology. However, the processing of raw data acquired from NMR spectrometers and subsequent quantitative analysis involves various specialized tools, which necessitates comprehensive knowledge in programming and NMR. Particularly, the emerging deep learning tools is hard to be widely used in NMR due to the sophisticated setup of computation. Thus, NMR processing is not an easy task for chemist and biologists. In this work, we present CloudBrain-NMR, an intelligent online cloud computing platform designed for NMR data reading, processing, reconstruction, and quantitative analysis. The platform is conveniently accessed through a web browser, eliminating the need for any program installation on the user side. CloudBrain-NMR uses parallel computing with graphics processing units and central processing units, resulting in significantly shortened computation time. Furthermore, it incorporates state-of-the-art deep learning-based algorithms offering comprehensive functionalities for reconstruction and peak picking. This platform has empowered NMR applications with advanced artificial intelligence processing. CloudBrain-NMR is openly accessible for free usage at https://csrc.xmu.edu.cn/CloudBrain.html.
ISSN:0018-9456
1557-9662
DOI:10.1109/TIM.2024.3415787