Figure 1

Multivariate statistical model by OPLS-DA and model validation based on permutation test. (A) The score plot for the first two predictive component (t[1] and t0[1]) discriminates plasma metabolite profiles between healthy control and Graves’ disease groups. Red circle is T2 ellipse indicating 0.05 as significance level. (B) 999 times random permutation plot with 4 components on the datasets that corresponded to the two groups (healthy controls and GD). The vertical axis corresponds to R2 (green points) and Q2 (blue points) values, presenting the goodness of fit and predictability of the original model, respectively. The horizontal axis indicates the correlation coefficient between the original Y-variable and the permuted Y-variable. The test demonstrates the OPLS-DA model’s robustness by the criteria where the original values are plotted on the right and higher than those of the 999 permuted models.