TABLE 4.
Based on the 2D-QSAR model to predict the activity logIC50 of LCF.
| PubChem ID | Compound | Predicted (MLRModel) logIC50 | Predicted (PLSModel) logIC50 |
|---|---|---|---|
| 5318999 | Licochalcone B | 0.26 | −0.06 |
| 932 | Naringenin | 2.36 | 1.82 |
| 1889 | DL-Liquiritigenin | 1.92 | 1.83 |
| 114829 | Liquiritigenin | 1.92 | 1.83 |
| 503737 | Liquiritin | 3.42 | 1.92 |
| 471722 | Mosloflavone | 3.24 | 2.44 |
| 77793 | 4′-Methoxyflavone | 3.44 | 2.68 |
| 5318998 | Licochalcone A | −0.37 | −0.13 |
| 442793 | 6-Gingerol | −0.42 | −0.34 |
| 5281894 | 7-Hydroxyflavone | 2.20 | 2.06 |
| 6442675 | Retrochalcone | −0.38 | −0.11 |
| 73571 | Sakuranetin | 2.65 | 1.96 |
| 2353 | Berberine | 3.74 | 2.89 |
| 5280378 | Formononetin | −0.38 | −0.11 |
| 9840805 | Licochalcone C | 2.65 | 1.96 |
| 5319000 | Licoflavone A | −0.38 | −0.11 |
| 54682930 | 4-Hydroxycoumarin | 2.65 | 1.96 |
| 90479675 | Glabrolide | 3.74 | 2.89 |
| 5281708 | Daidzein | −0.38 | −0.11 |
| 445858 | Ferulic acid | 2.65 | 1.96 |