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...

Full description

Saved in:
Bibliographic Details
Published in:Encyclopedia (Basel, Switzerland) Vol. 4; no. 4; pp. 1568 - 1580
Main Authors: Kuhn, Stefan, de Jesus, Rômulo Pereira, Borges, Ricardo Moreira
Format: Journal Article
Language:English
Published: 18-10-2024
Online Access:Get full text
Tags: Add Tag
No Tags, Be the first to tag this record!
Description
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
2673-8392
DOI:10.3390/encyclopedia4040102