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Table 3 Validation of PLS-DA and O-PLS-DA models

From: Metabonomics uncovers a reversible proatherogenic lipid profile during infliximab therapy of inflammatory bowel disease

Model PLS-DA
permutation test n = 200
O-PLS-DA
CV-ANOVA
Area under the ROC curve
CD(0) vs. UC(0) Q2 = 0.095 Q2 = –0.182 0.44
× × P = 1
CD(0) vs. Control Q2 = 0.637, r = 0.32 Q2 = 0.7 0.96
P < 0.001
UC(0) vs. Control Q2 = 0.583, r = 0.32 Q2 = 0.383 0.94
P < 0.001
CD Rem(0) vs. Control Q2 = 0.63, r = 0.37 Q2 = 0.66 0.96
P < 0.001
CD Rem(2) vs. Control Q2 = 0.69, r = 0.37 Q2 = 0.66 0.95
P < 0.001
CD Rem(6) vs. Control Q2 = 0.52, r = 0.37 Q2 = 0.63 0.91
P < 0.001
CD Rem(14) vs. Control Q2 = 0.48, r = 0.40 Q2 = 0.62 0.90
P < 0.001
UC Rem(0) vs. Control Q2 = 0.56, r = 0.47 Q2 = 0.60 0.91
P < 0.001
UC Rem(2) vs. Control Q2 = 0.60, r = 0.48 Q2 = 0.60 0.94
P < 0.001
UC Rem(6) vs. Control Q2 = 0.25 Q2 = 0.52 0.71
× P < 0.001
UC Rem(14) vs. Control Q2 = 0.17 Q2 = 0.37 0.64
× P < 0.001
  1. The models were only considered valid if the permutation test and the CV-ANOVA test (p < 0.05) were satisfied at the same time
  2. (0), before 1st infusion of infliximab; (2), before 2nd infusion; (6), before 3rd infusion; (14), before 4th infusion
  3. Q2, predictability of the model; r correlation coefficient
  4. , valid model
  5. X invalid model
  6. CD Crohn’s disease, CV-ANOVA analysis of variance of the cross-validated residuals, O-PLS-DA orthogonal-projection to latent structure discriminant analysis, PLS-DA projection to latent structure-discriminant analysis, Rem remission, ROC receiver operating characteristics, UC ulcerative colitis