Table 2.
Summary of prediction performance for KhES-3
| NT (13) | HT (15) | CT (13) | GT (6) | TT (7) | NGC (9) | |||
|---|---|---|---|---|---|---|---|---|
| Random | 24 h | Mean Accuracy (%) | 85.8 | 83.7 | 83.3 | 87.5 | 87.0 | 87.0 |
| SD | 8.13 | 6.92 | 6.81 | 6.21 | 6.65 | 5.38 | ||
| Mean AUC | 0.86 | 0.82 | 0.85 | 0.88 | 0.86 | 0.87 | ||
| SD | 0.09 | 0.11 | 0.09 | 0.07 | 0.11 | 0.06 | ||
| 48 h | Mean Accuracy (%) | 85.8 | 83.7 | 83.3 | 87.5 | 87.0 | 87.0 | |
| SD | 8.13 | 6.92 | 6.81 | 6.21 | 6.65 | 5.38 | ||
| Mean AUC | 0.86 | 0.82 | 0.85 | 0.88 | 0.86 | 0.87 | ||
| SD | 0.09 | 0.11 | 0.09 | 0.07 | 0.11 | 0.06 | ||
| Molecular descriptors | Accuracy (%) | 83.3 | 70.8 | 83.3 | 83.3 | 91.7 | 83.3 | |
| AUC | 0.83 | 0.76 | 0.90 | 0.82 | 0.86 | 0.60 | ||
| RNA-seq log fold change |
24 h | Accuracy (%) | 75.0 | 75.0 | 79.2 | 79.2 | 75.0 | 66.7 |
| AUC | 0.73 | 0.73 | 0.83 | 0.83 | 0.74 | 0.76 | ||
| 48 h | Accuracy (%) | 62.5 | 75.0 | 75.0 | 83.3 | 79.2 | 66.7 | |
| AUC | 0.71 | 0.73 | 0.78 | 0.66 | 0.61 | 0.79 | ||
| GGM network coefficient | 24 h | Accuracy (%) | 83.3 | 91.7∗ | 87.5 | 87.5 | 79.2 | 91.7 |
| AUC | 0.73 | 0.99∗ | 0.91 | 0.83 | 0.76 | 0.97∗ | ||
| 48 h | Accuracy (%) | 87.5 | 83.3 | 91.7∗ | 91.7 | 91.7 | 83.3 | |
| AUC | 0.93 | 0.79 | 0.9 | 1.00∗ | 1.00∗ | 0.80 | ||
p < 0.05 and ∗p < 0.01 in one-sample t-test (one-sided).
NT, Neurotoxin; HT, Hepatotoxin; CT, Cardiotoxin; GT, Glomerular toxin (Nephrotoxin); TT, Tubular toxin (Nephrotoxin); NGC, Non-genotoxic carcinogen.
SD, Sample SD; AUC, Area Under the ROC Curve; GGM, Graphical Gaussian Model.