## 3 Results and Discussion
### Pharmacokinetic and Toxicity Profiles Prediction
\begin{table}
\begin{tabular}{c c c c c c c c c c c} \hline \hline \multirow{2}{*}{**Compound**} & \multicolumn{4}{c}{**Pharmacokinetic**} & \multicolumn{4}{c}{**Toxicity**} \\ \cline{2-11}  & \multirow{2}{*}{**HIA**} & \multirow{2}{*}{**Caco-2**} & \multirow{2}{*}{**PPB**} & \multicolumn{2}{c}{**Carcinogenicity**} & \multirow{2}{*}{**Impatotoxicity**} & \multirow{2}{*}{**Mutagenicity**} & \multirow{2}{*}{**Cytotoxicity**} & \multicolumn{1}{c}{**Toxicity**} \\ \cline{3-3} \cline{8-11}  & & & & & **Mouse** & & & **Rat** & & **Class** \\ \hline
4-OHT & 97.20 & 47.74 & 99.51 & No & No & Yes & Yes & No & No & 4 \\ \hline \multicolumn{11}{c}{Raloxifene} & 96.20 & 32.68 & 100 & No & No & No & Yes & No & No & 4 \\ \hline Lasofoxifene & 97.22 & 51.55 & 100 & No & No & No & Yes & No & Yes & 4 \\ \hline PBD-1 & 96.72 & 6.09 & 84.72 & No & No & No & Yes & No & No & 5 \\ \hline PBD-2 & 96.72 & 5.91 & 85.98 & No & No & No & Yes & No & No & 5 \\ \hline PBD-3 & 96.72 & 5.78 & 84.33 & No & No & No & Yes & No & No & 5 \\ \hline PBD-4 & 96.78 & 10.87 & 89.21 & No & No & No & Yes & No & No & 5 \\ \hline PBD-5 & 96.78 & 10.56 & 90.36 & No & No & No & Yes & No & No & 5 \\ \hline PBD-6 & 96.78 & 10.41 & 89.84 & No & No & No & Yes & No & No & 5 \\ \hline PBD-7 & 96.91 & 3.63 & 92.15 & No & No & No & No & No & No & 5 \\ \hline PBD-8 & 96.91 & 3.46 & 93.19 & No & No & No & No & No & No & 5 \\ \hline PBD-9 & 96.91 & 3.44 & 91.84 & No & No & No & No & No & No & 5 \\ \hline PBD-10 & 96.87 & 2.49 & 92.94 & No & No & No & No & No & No & 5 \\ \hline PBD-11 & 96.87 & 2.40 & 94.39 & No & No & No & No & No & No & 5 \\ \hline PBD-12 & 96.87 & 2.34 & 92.92 & No & No & No & No & No & No & 5 \\ \hline PBD-13 & 96.85 & 1.70 & 96.29 & No & No & No & No & No & No & 5 \\ \hline PBD-14 & 96.85 & 1.65 & 95.37 & No & No & No & No & No & No & 5 \\ \hline PBD-15 & 96.85 & 1.64 & 94.14 & No & No & No & No & No & No & 5 \\ \hline PBD-16 & 96.83 & 8.73 & 88.03 & No & No & No & No & No & 5 \\ \hline
**PBD-17** & **96.83** & **8.42** & **89.17** & **No** & **No** & **No** & **No** & **No** & **No** & **5** \\ \hline PBD-18 & 96.83 & 8.29 & 88.79 & No & No & No & No & No & No & 5 \\ \hline PBD-19 & 95.79 & 4.24 & 83.93 & No & No & No & No & No & No & 5 \\ \hline
**PBD-20** & **95.79** & **4.09** & **85.51** & **No** & **No** & **No** & **No** & **No** & **No** & **5** \\ \hline \hline \end{tabular}
\end{table} 
Table 3: Absorption, distribution, and toxicity assessment results on PBD compounds and positive control by PreADMET and Protox-3.0. The toxicity screening results (Table 3) show that the PBD compounds are generally less toxic than the positive control. The positive control has a moderate toxicity classification and a higher risk of immunotoxicity, hepatotoxicity (4-OHT), and cytotoxicity (lassofoxifene), which can pose a high risk of adverse effects. Meanwhile, all PBD compounds exhibit a lower toxicity classification, with no dangers of carcinogenicity, hepatotoxicity, immunotoxicity, mutagenicity, and cytotoxicity. However, a mild immunotoxicity concern was observed in compounds PBD-1 to PBD-6. These findings suggest that the PBD compounds, with their favorable toxicity profiles, may serve as safer alternatives in drug development.