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. 2012 Mar 21;7(3):e33728. doi: 10.1371/journal.pone.0033728

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.

1

ADMET Adsorption levels: 0 = Good; 1 = Moderate; 2 = Low; 3 = Very low.

2

Plasma Protein Binding: 0 = Binding <90% ;1 = Binding >90%; 2 = Binding >95%.

3

Inhibition probability of Cytochrome P450 2D6 enzyme.

4

Hepatoxicity: 0 = Nontoxic; 1 = Toxic.