Nuclear Magnetic Resonance and Artificial Intelligence

Nuclear Magnetic Resonance and Artificial Intelligence

This review explores the current applications of artificial intelligence (AI) in nuclear magnetic resonance (NMR) spectroscopy, with a particular emphasis on small molecule chemistry. Applications of AI techniques, especially machine learning (ML) and deep learning (DL) in the areas of shift predict...

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Bibliographic Details
Main Authors: Stefan Kuhn, Rômulo Pereira de Jesus, Ricardo Moreira Borges
Format: Article
Language:English
Published: MDPI AG 2024-10-01
Series:Encyclopedia
Subjects:
nuclear magnetic resonance
NMR
artificial intelligence
spectrum prediction
metabolomics
Online Access:https://www.mdpi.com/2673-8392/4/4/102
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Summary:This review explores the current applications of artificial intelligence (AI) in nuclear magnetic resonance (NMR) spectroscopy, with a particular emphasis on small molecule chemistry. Applications of AI techniques, especially machine learning (ML) and deep learning (DL) in the areas of shift prediction, spectral simulations, spectral processing, structure elucidation, mixture analysis, and metabolomics, are demonstrated. The review also shows where progress is limited.
ISSN:2673-8392

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