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. 2024 Oct 20;37(11):1843–1850. doi: 10.1021/acs.chemrestox.4c00168

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%
a

NA; not available.