From: Machine learning to predict metabolic drug interactions related to cytochrome P450 isozymes
 | Des | SE | SP | F | ACC | AUC |
---|---|---|---|---|---|---|
1A2_Sub | 2D | 0.72 ± 0.067 | 0.73 ± 0.072 | 0.72 ± 0.051 | 0.72 ± 0.047 | 0.78 ± 0.045 |
2C9_Sub | 2D | 0.75 ± 0.060 | 0.77 ± 0.063 | 0.75 ± 0.037 | 0.76 ± 0.035 | 0.84 ± 0.038 |
2C19_Sub | 2D | 0.76 ± 0.063 | 0.79 ± 0.067 | 0.77 ± 0.043 | 0.77 ± 0.040 | 0.85 ± 0.038 |
2D6_Sub | 2D | 0.76 ± 0.046 | 0.82 ± 0.044 | 0.79 ± 0.033 | 0.79 ± 0.032 | 0.86 ± 0.029 |
3A4_Sub | 2D | 0.75 ± 0.038 | 0.79 ± 0.035 | 0.76 ± 0.026 | 0.77 ± 0.024 | 0.85 ± 0.020 |
1A2_In | 2D | 0.82 ± 0.010 | 0.87 ± 0.009 | 0.84 ± 0.007 | 0.85 ± 0.006 | 0.93 ± 0.005 |
2C9_In | 2D | 0.71 ± 0.017 | 0.90 ± 0.008 | 0.74 ± 0.011 | 0.83 ± 0.007 | 0.90 ± 0.005 |
2C9_In_B* | 2D | 0.83 ± 0.014 | 0.81 ± 0.013 | 0.82 ± 0.010 | 0.82 ± 0.008 | 0.89 ± 0.007 |
2C19_In | 2D | 0.81 ± 0.010 | 0.84 ± 0.008 | 0.81 ± 0.007 | 0.83 ± 0.006 | 0.89 ± 0.005 |
2D6_In | 2D | 0.46 ± 0.016 | 0.97 ± 0.017 | 0.59 ± 0.015 | 0.87 ± 0.011 | 0.87 ± 0.009 |
2D6_In_B* | 2D | 0.74 ± 0.018 | 0.83 ± 0.018 | 0.77 ± 0.014 | 0.79 ± 0.012 | 0.87 ± 0.011 |
3A4_In | MACCS | 0.73 ± 0.015 | 0.86 ± 0.009 | 0.76 ± 0.010 | 0.81 ± 0.008 | 0.89 ± 0.006 |