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Summary of substrate and inhibitor data sets used in this study
| Type | Data Set Name | Total Number of Compounds | Number of Actives | Number of Inactives | Imbalance Ratio (Inactives/Actives) |
|---|---|---|---|---|---|
| Substrate data | CYP2C9 | 3966 | 1126 | 2840 | 3:1 |
| CYP2D6 | 3946 | 1318 | 2628 | 2:1 | |
| CYP3A4 | 3974 | 1883 | 2091 | 1:1 | |
| Inhibitor data | CYP2C9 | 3288 | 570 | 2718 | 5:1 |
| CYP2D6 | 3187 | 367 | 2820 | 8:1 | |
| CYP3A4 | 2794 | 340 | 2454 | 7:1 |
