Table 1 Distribution of training and validation datasets for five CYP450 inhibitors.
Isoforms | Inhibitors | Non-Inhibitors | Ratio (Pos/Neg) | Total |
|---|---|---|---|---|
1A2 | 3,885 | 6,223 | 0.62:1 | 10,108 |
2C9 | 2,808 | 7,089 | 0.40:1 | 9,897 |
2C19 | 4,599 | 6,101 | 0.75:1 | 10,700 |
2D6 | 1,392 | 9,698 | 0.14:1 | 11,090 |
3A4 | 3,083 | 6,668 | 0.46:1 | 9,751 |
Total | 15,767 | 35,779 | 0.44:1 | 51,546 |