Discriminating the origin of fish from closely related water bodies by combining NMR spectroscopy with statistical analysis and machine learning

Kuhn, Stefan; Reitel, Kärt; Homapour, Elmina; Kork, Kärolin; Vaino, Väino; Arula, Timo; Bernotas, Priit; Reile, Indrek

doi:10.1016/j.ecoinf.2024.102753

Ecological Informatics

2024

DOI: 10.1016/j.ecoinf.2024.102753

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Discriminating the origin of fish from closely related water bodies by combining NMR spectroscopy with statistical analysis and machine learning

Stefan Kuhn,

Kärt Reitel,

Elmina Homapour

et al.

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2024

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Nuclear Magnetic Resonance and Artificial Intelligence

Kuhn,

de Jesus,

Borges

2024

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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.

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Nuclear Magnetic Resonance and Artificial Intelligence

Kuhn,

de Jesus,

Borges

2024

Encyclopedia

View full text Add to dashboard Cite

show abstract

scite is a Brooklyn-based organization that helps researchers better discover and understand research articles through Smart Citations–citations that display the context of the citation and describe whether the article provides supporting or contrasting evidence. scite is used by students and researchers from around the world and is funded in part by the National Science Foundation and the National Institute on Drug Abuse of the National Institutes of Health.

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Discriminating the origin of fish from closely related water bodies by combining NMR spectroscopy with statistical analysis and machine learning

Cited by 1 publication

References 32 publications

Nuclear Magnetic Resonance and Artificial Intelligence

Nuclear Magnetic Resonance and Artificial Intelligence

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