Fig. 2

Log2 fold change (a), S-plot (b), and PLS-DA plot (c) showing 86 metabolites in the control group (green) and model group (blue); R2Y (cumulative), 0.894; Q2 (cumulative), 0.896. R2 is a measure of fit, i.e., how well the model fits the data. Q2 indicates how well the model predicts new data. A large Q2 (Q2 > 0.5) indicates good predictivity. A 100 permutations test (d) verified the accuracy of the model [R2 = 0.939, Q2 = 0.927]