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. 2018 Jun 18;8:9262. doi: 10.1038/s41598-018-27600-0

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© The Author(s) 2018

Open Access This article is licensed under a Creative Commons Attribution 4.0 International License, which permits use, sharing, adaptation, distribution and reproduction in any medium or format, as long as you give appropriate credit to the original author(s) and the source, provide a link to the Creative Commons license, and indicate if changes were made. The images or other third party material in this article are included in the article’s Creative Commons license, unless indicated otherwise in a credit line to the material. If material is not included in the article’s Creative Commons license and your intended use is not permitted by statutory regulation or exceeds the permitted use, you will need to obtain permission directly from the copyright holder. To view a copy of this license, visit http://creativecommons.org/licenses/by/4.0/.

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(A) Receiver operating characteristic (ROC) analysis of multiple metabolite panels for discriminating the healthy control and Graves’ disease group. Score matrix (t[1]) is computed based on relative concentration of 10 metabolites by OPLS-DA and the single numerical variable is introduced for ROC analysis. The 10 metabolites are glucose, pelargonic acid, 2-(4-hydroxyphenyl)ethanol, gluconic acid lactone, glycerol, pentadecanoic acid, mannose, threose, fumaric acid, and pyruvic acid. The value of the area under curve (AUC) is 0.93 (95% confidence interval: 0.862–0.969). Optimal cutoff is determined using the closest to top-left corner and the 95% confidence interval is calculated using 500 bootstrappings. (B) Box-and-whisker plot present the relative abundances of the variable (t[1] component) of healthy control (left) and GD (right).