Skip to main content

Table 2 Performance measures for selected plasma models predicting cancer status

From: Cheminformatics approach to exploring and modeling trait-associated metabolite profiles

  ADC 1 (training) LOOCV ADC2 (test) external validation
Accuracy (%) Sensitivity (%) Specificity (%) AUC Accuracy (%) Sensitivity (%) Specificity (%) AUC
Single metabolite classifiers
 3-phosphoglycerate 70.7 60.8 87.1 0.734 51.2 34.9 67.4 0.578
 Maltose 74.4* 82.4 61.3 0.701 57.0* 62.8 51.2 0.607
 Pyrophosphate 69.5 66.7 74.2 0.703 76.7 67.4 86.0 0.811
Multi-metabolite classifiers—clustered metabolites
 Cluster 1a SVMb 80.5* 86.3 71.0 0.713 70.9* 72.1 69.8 0.675
  1. Asterisk represents best model accuracies according to LOOCV accuracy. Best model accuracies according to external validation accuracy are underlined
  2. a3-Phosphoglycerate, pyrophosphate
  3. bSupport vector machines