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. 2018 Sep 5;8:13297. doi: 10.1038/s41598-018-31543-x

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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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Analysis of the pan metabolome improves classification accuracy for distinguishing CPE from non-CPE. (A) ROC curves for the discrimination between CPE and non-CPE generated using class probabilities for validation set samples. Green: RF; Orange: linear SVM; Blue: PLS-DA. Values in parentheses indicate AUROC. (B) Bar plot depicting the proportion of discriminatory metabolites (amongst the top 34 most discriminatory metabolites) derived from either the core metabolome (left bar in each pair) or pan metabolome (right bar in each pair). Green: RF; orange: linear SVM; blue: PLS-DA.