Prediction of chemical shift in NMR: A review-Reference-Cited by-同舟云学术

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Prediction of chemical shift in NMR: A review

Published:2021-12-07 Issue: Volume: Page:
ISSN:0749-1581
Container-title:Magnetic Resonance in Chemistry
language:en
Short-container-title:Magn Reson Chem

Author:

Jonas Eric¹,Kuhn Stefan²³^ORCID,Schlörer Nils⁴^ORCID

Affiliation:

1. Department of Computer Science University of Chicago Chicago Illinois 60637 USA

2. Cyber Technology Institute De Montfort University Leicester LE1 9BH UK

3. Institute of Computer Science University of Tartu Tartu Estonia

4. NMR Core facility, Department of Chemistry University of Cologne Cologne D‐50939 Germany

Funder

Deutsche Forschungsgemeinschaft

Publisher

Wiley

Subject

General Materials Science,General Chemistry

Link

https://onlinelibrary.wiley.com/doi/pdf/10.1002/mrc.5234

Reference68 articles.

1. Computer Assisted Structure Elucidation (CASE): Current and future perspectives

2. NMR signal processing, prediction, and structure verification with machine learning techniques

3. Recent advances in computational predictions of NMR parameters for the structure elucidation of carbohydrates: methods and limitations

4. Computational Prediction of 1H and 13C Chemical Shifts: A Useful Tool for Natural Product, Mechanistic, and Synthetic Organic Chemistry

5. Protein structure determination from NMR chemical shifts

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3. Accurate Prediction of NMR Chemical Shifts: Integrating DFT Calculations with Three-Dimensional Graph Neural Networks;Journal of Chemical Theory and Computation;2024-06-06

4. Prediction of 19F NMR chemical shift by machine learning;Artificial Intelligence Chemistry;2024-06

5. Accurate Prediction of 1H NMR Chemical Shifts of Small Molecules Using Machine Learning;Metabolites;2024-05-19

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