Table 1 Performance measures for selected serum models predicting cancer status
From: Cheminformatics approach to exploring and modeling trait-associated metabolite profiles
| Â | ADC1 (training) LOOCV | ADC2 (test) external validation | ||||||
|---|---|---|---|---|---|---|---|---|
Accuracy (%) | Sensitivity (%) | Specificity (%) | AUC | Accuracy (%) | Sensitivity (%) | Specificity (%) | AUC | |
Single metabolite classifiers | ||||||||
 Aspartic Acid | 62.5 | 40.8 | 96.8 | 0.698 | 79.1 | 62.8 | 95.3 | 0.862 |
 Cystine | 70.0* | 75.5 | 61.3 | 0.685 | 55.8* | 76.7 | 34.9 | 0.677 |
 Glutamic Acid | 62.5 | 42.9 | 93.5 | 0.687 | 76.7 | 65.1 | 88.4 | 0.846 |
 Oxalic Acid | 70.0* | 83.7 | 48.4 | 0.65 | 57.0* | 88.4 | 25.6 | 0.649 |
Multi-metabolite classifiers—clustered metabolites | ||||||||
 Cluster 1a SVMb | 76.3* | 77.6 | 74.2 | 0.751 | 84.9* | 72.1 | 97.7 | 0.856 |