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Differentiation of Geographical Origin of White and Brown Rice Samples Using NMR Spectroscopy Coupled with Machine Learning Techniques

Rice (Oryza sativa L.) is a widely consumed food source, and its geographical origin has long been a subject of discussion. In our study, we collected 44 and 20 rice samples from different regions of the Republic of Korea and China, respectively, of which 35 and 29 samples were of white and brown ri...

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Autores principales: Saeed, Maham, Kim, Jung-Seop, Kim, Seok-Young, Ryu, Ji Eun, Ko, JuHee, Zaidi, Syed Farhan Alam, Seo, Jeong-Ah, Kim, Young-Suk, Lee, Do Yup, Choi, Hyung-Kyoon
Formato: Online Artículo Texto
Lenguaje:English
Publicado: MDPI 2022
Materias:
Acceso en línea:https://www.ncbi.nlm.nih.gov/pmc/articles/PMC9693418/
https://www.ncbi.nlm.nih.gov/pubmed/36355095
http://dx.doi.org/10.3390/metabo12111012
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author Saeed, Maham
Kim, Jung-Seop
Kim, Seok-Young
Ryu, Ji Eun
Ko, JuHee
Zaidi, Syed Farhan Alam
Seo, Jeong-Ah
Kim, Young-Suk
Lee, Do Yup
Choi, Hyung-Kyoon
author_facet Saeed, Maham
Kim, Jung-Seop
Kim, Seok-Young
Ryu, Ji Eun
Ko, JuHee
Zaidi, Syed Farhan Alam
Seo, Jeong-Ah
Kim, Young-Suk
Lee, Do Yup
Choi, Hyung-Kyoon
author_sort Saeed, Maham
collection PubMed
description Rice (Oryza sativa L.) is a widely consumed food source, and its geographical origin has long been a subject of discussion. In our study, we collected 44 and 20 rice samples from different regions of the Republic of Korea and China, respectively, of which 35 and 29 samples were of white and brown rice, respectively. These samples were analyzed using nuclear magnetic resonance (NMR) spectroscopy, followed by analyses with various data normalization and scaling methods. Then, leave-one-out cross-validation (LOOCV) and external validation were employed to evaluate various machine learning algorithms. Total area normalization, with unit variance and Pareto scaling for white and brown rice samples, respectively, was determined as the best pre-processing method in orthogonal partial least squares–discriminant analysis. Among the various tested algorithms, support vector machine (SVM) was the best algorithm for predicting the geographical origin of white and brown rice, with an accuracy of 0.99 and 0.96, respectively. In external validation, the SVM-based prediction model for white and brown rice showed good performance, with an accuracy of 1.0. The results of this study suggest the potential application of machine learning techniques based on NMR data for the differentiation and prediction of diverse geographical origins of white and brown rice.
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spelling pubmed-96934182022-11-26 Differentiation of Geographical Origin of White and Brown Rice Samples Using NMR Spectroscopy Coupled with Machine Learning Techniques Saeed, Maham Kim, Jung-Seop Kim, Seok-Young Ryu, Ji Eun Ko, JuHee Zaidi, Syed Farhan Alam Seo, Jeong-Ah Kim, Young-Suk Lee, Do Yup Choi, Hyung-Kyoon Metabolites Article Rice (Oryza sativa L.) is a widely consumed food source, and its geographical origin has long been a subject of discussion. In our study, we collected 44 and 20 rice samples from different regions of the Republic of Korea and China, respectively, of which 35 and 29 samples were of white and brown rice, respectively. These samples were analyzed using nuclear magnetic resonance (NMR) spectroscopy, followed by analyses with various data normalization and scaling methods. Then, leave-one-out cross-validation (LOOCV) and external validation were employed to evaluate various machine learning algorithms. Total area normalization, with unit variance and Pareto scaling for white and brown rice samples, respectively, was determined as the best pre-processing method in orthogonal partial least squares–discriminant analysis. Among the various tested algorithms, support vector machine (SVM) was the best algorithm for predicting the geographical origin of white and brown rice, with an accuracy of 0.99 and 0.96, respectively. In external validation, the SVM-based prediction model for white and brown rice showed good performance, with an accuracy of 1.0. The results of this study suggest the potential application of machine learning techniques based on NMR data for the differentiation and prediction of diverse geographical origins of white and brown rice. MDPI 2022-10-24 /pmc/articles/PMC9693418/ /pubmed/36355095 http://dx.doi.org/10.3390/metabo12111012 Text en © 2022 by the authors. https://creativecommons.org/licenses/by/4.0/Licensee MDPI, Basel, Switzerland. This article is an open access article distributed under the terms and conditions of the Creative Commons Attribution (CC BY) license (https://creativecommons.org/licenses/by/4.0/).
spellingShingle Article
Saeed, Maham
Kim, Jung-Seop
Kim, Seok-Young
Ryu, Ji Eun
Ko, JuHee
Zaidi, Syed Farhan Alam
Seo, Jeong-Ah
Kim, Young-Suk
Lee, Do Yup
Choi, Hyung-Kyoon
Differentiation of Geographical Origin of White and Brown Rice Samples Using NMR Spectroscopy Coupled with Machine Learning Techniques
title Differentiation of Geographical Origin of White and Brown Rice Samples Using NMR Spectroscopy Coupled with Machine Learning Techniques
title_full Differentiation of Geographical Origin of White and Brown Rice Samples Using NMR Spectroscopy Coupled with Machine Learning Techniques
title_fullStr Differentiation of Geographical Origin of White and Brown Rice Samples Using NMR Spectroscopy Coupled with Machine Learning Techniques
title_full_unstemmed Differentiation of Geographical Origin of White and Brown Rice Samples Using NMR Spectroscopy Coupled with Machine Learning Techniques
title_short Differentiation of Geographical Origin of White and Brown Rice Samples Using NMR Spectroscopy Coupled with Machine Learning Techniques
title_sort differentiation of geographical origin of white and brown rice samples using nmr spectroscopy coupled with machine learning techniques
topic Article
url https://www.ncbi.nlm.nih.gov/pmc/articles/PMC9693418/
https://www.ncbi.nlm.nih.gov/pubmed/36355095
http://dx.doi.org/10.3390/metabo12111012
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