Table 1.
Training set compounds:
| Compounds | PubChem ID | IUPAC NAME |
|---|---|---|
| Luteolin | 5280445 | 3′,4′,5,7-Tetrahydroxyflavone |
| Kaempferol | 5280863 | 3,5,7-trihydroxy-2-(4-hydroxyphenyl)chromen-4-one |
| QRMCH3 | 44457131 | 3-hydroxy-2-(3-methylphenyl)chromen-4-one |
| QRPOH | 688715 | 3-Hydroxy-2-(4-hydroxy-phenyl)-chromen-4-one |
| QRMCF3 | 15316112 | 3-hydroxy-2-[4-(trifluoromethyl)phenyl]chromen-4-one |
| QRMOH | 676295 | 3-hydroxy-2-(3-hydroxyphenyl)chromen-4-one |
| Quercetin | 5280343 | 2-(3,4-dihydroxyphenyl)-3,5,7-trihydroxychromen-4-one |
| Apigenin | 5280443 | 4′,5,7-Trihydroxyflavone |
| 6OHQR | 688659 | 3,6-dihydroxy-2-phenylchromen-4-one |
| 6MEOQR | 688676 | 3-hydroxy-6-methoxy-2-phenyl-4h-chromen-4-on |
| 6MEQR | 227445 | 6-Methylflavonol |
| QRPOME | 97141 | 4′-Methoxyflavonol |
| Daidzein | 5281708 | 7-hydroxy-3-(4-hydroxyphenyl)chromen-4-one |
| Genistein | 5280961 | 5,7-dihydroxy-3-(4 hydroxyphenyl) chromen-4-one |