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Statistical methods in the NMR spectral analysis

10.71267/mencom.8004
Published 2026-03-24
Focus article , Volume 36, Issue 3, 245-256
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Krivdin L. B. Statistical methods in the NMR spectral analysis // Mendeleev Communications. 2026. Vol. 36. No. 3. pp. 245-256.
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Krivdin L. B. Statistical methods in the NMR spectral analysis // Mendeleev Communications. 2026. Vol. 36. No. 3. pp. 245-256.
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TY - JOUR
DO - 10.71267/mencom.8004
UR - https://mendcomm.colab.ws/publications/10.71267/mencom.8004
TI - Statistical methods in the NMR spectral analysis
T2 - Mendeleev Communications
AU - Krivdin, Leonid Borisovich
PY - 2026
DA - 2026/03/24
PB - Mendeleev Communications
SP - 245-256
IS - 3
VL - 36
ER -
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@article{2026_Krivdin,
author = {Leonid Borisovich Krivdin},
title = {Statistical methods in the NMR spectral analysis},
journal = {Mendeleev Communications},
year = {2026},
volume = {36},
publisher = {Mendeleev Communications},
month = {Mar},
url = {https://mendcomm.colab.ws/publications/10.71267/mencom.8004},
number = {3},
pages = {245--256},
doi = {10.71267/mencom.8004}
}
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Krivdin, Leonid Borisovich. “Statistical methods in the NMR spectral analysis.” Mendeleev Communications, vol. 36, no. 3, Mar. 2026, pp. 245-256. https://mendcomm.colab.ws/publications/10.71267/mencom.8004.

Keywords

computational NMR
computer assisted structure elucidation
DP4-based probability methods
machine-learning
neural network
statistical methods

Abstract

The present review provides a brief summary of the most popular statistical protocols applied in the NMR spectral analysis: machine-learning, neural network, computer assisted structure elucidation, and DP4-based probability methods, which produced a real breakthrough in the interpretation of challenging NMR spectra. Those protocols are a broad family of related machine-learning and artificial neural network statistical treatments, the latter being on the cutting edge of modern statistical science providing an alternative to the state-of-the-art multidimensional NMR experiments, which are often combined with quantum chemical calculations at different levels of theory.

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