Table 2. Adsorption, distribution, metabolism, toxicity properties and predicted pIC50 of Saracatinib and the top three TCM compounds.
Name | ADMET Adsorption Level1 | PPBLevel2 | CYP2D6Probability3 | Hepatoxicity4 | Bioactivity Prediction (pIC50) | |
SVM | MLR | |||||
Isopraeroside IV | 1 | 2 | 0.356 | 0 | 6.0277 | 7.7282 |
9HFG | 1 | 2 | 0.297 | 0 | 6.8590 | 7.5342 |
Aurantiamide | 0 | 2 | 0.475 | 0 | 4.6490 | 4.4080 |
Saracatinib* | 0 | 0 | 0.297 | 0 | 7.3036 | 4.9410 |
Control.
ADMET Adsorption levels: 0 = Good; 1 = Moderate; 2 = Low; 3 = Very low.
Plasma Protein Binding: 0 = Binding <90% ;1 = Binding >90%; 2 = Binding >95%.
Inhibition probability of Cytochrome P450 2D6 enzyme.
Hepatoxicity: 0 = Nontoxic; 1 = Toxic.