Table 3. Prediction Probability and Coverage of the Rat and Human P450 Models.
| P450 | distance from the predicted probability of 0.5 | |||||||||
|---|---|---|---|---|---|---|---|---|---|---|
| 0 | ±0.05 | ±0.1 | ±0.15 | ±0.2 | ||||||
| ROC-AUC | coverage | ROC-AUC | coverage | ROC-AUC | coverage | ROC-AUC | coverage | ROC-AUC | coverage | |
| Rat | ||||||||||
| CYP1A1 | 0.84 | 100% | 0.84 | 97% | 0.85 | 93% | 0.84 | 78% | 0.84 | 73% |
| CYP1A2 | 0.80 | 100% | 0.82 | 92% | 0.85 | 78% | 0.88 | 62% | 0.86 | 42% |
| CYP2B1 | 0.73 | 100% | 0.74 | 88% | 0.74 | 73% | 0.80 | 53% | 0.83 | 47% |
| CYP2C6 | 0.93 | 100% | 0.93 | 97% | 0.93 | 95% | 0.93 | 88% | 0.93 | 87% |
| CYP2D1 | 0.81 | 100% | 0.79 | 97% | 0.80 | 95% | 0.82 | 93% | 0.84 | 90% |
| CYP2E1 | 0.69 | 100% | 0.76 | 80% | 0.80 | 70% | NAa | NA | NA | NA |
| CYP3A2 | 0.78 | 100% | 0.78 | 88% | 0.79 | 75% | 0.80 | 67% | 0.80 | 62% |
| Human | ||||||||||
| CYP1A1 | 0.82 | 100% | 0.82 | 95% | 0.82 | 93% | 0.82 | 92% | 0.82 | 90% |
| CYP1A2 | 0.75 | 100% | 0.77 | 98% | 0.76 | 97% | 0.76 | 90% | 0.76 | 82% |
| CYP1B1 | 0.90 | 100% | 0.90 | 98% | 0.90 | 98% | 0.90 | 95% | 0.90 | 95% |
| CYP2A6 | 0.72 | 100% | 0.69 | 93% | 0.64 | 87% | 0.65 | 80% | 0.67 | 73% |
| CYP2B6 | 0.75 | 100% | 0.75 | 100% | 0.75 | 98% | 0.77 | 90% | 0.78 | 85% |
| CYP2C8 | 0.78 | 100% | 0.78 | 100% | 0.76 | 97% | 0.75 | 90% | 0.75 | 88% |
| CYP2C9 | 0.78 | 100% | 0.79 | 90% | 0.80 | 78% | 0.81 | 73% | 0.82 | 67% |
| CYP2C19 | 0.76 | 100% | 0.78 | 97% | 0.78 | 97% | 0.77 | 93% | 0.76 | 92% |
| CYP2D6 | 0.75 | 100% | 0.75 | 100% | 0.78 | 97% | 0.76 | 95% | 0.76 | 83% |
| CYP2E1 | 0.58 | 100% | 0.63 | 88% | 0.65 | 73% | 0.67 | 72% | 0.78 | 57% |
| CYP3A4 | 0.82 | 100% | 0.84 | 95% | 0.84 | 92% | 0.85 | 88% | 0.88 | 77% |
NA; not available.