Table 3 Flavonoids classified by its corresponding PubChem CID and training/test set
Flavonoids | PubChem CID | Training and test data set |
|---|---|---|
5,7,2′-Trihydroxyflavone | Structure2D_CID_21611827 | Training set |
Naringin | Structure2D_CID_442428 | Training set |
(±)-Taxifolin | Structure2D_CID_471 | Training set |
Quercetin | Structure2D_CID_5280343 | Training set |
Apigenin | Structure2D_CID_5280443 | Training set |
Luteolin | Structure2D_CID_5280445 | Training set |
Rutin | Structure2D_CID_5280805 | Training set |
Kaempferol | Structure2D_CID_5280863 | Training set |
Genistein | Structure2D_CID_5280961 | Training set |
Baicalein | Structure2D_CID_5281605 | Training set |
Chrysin | Structure2D_CID_5281607 | Training set |
Resokaempferol | Structure2D_CID_5281611 | Training set |
Galangin | Structure2D_CID_5281616 | Training set |
Isorhamnetin | Structure2D_CID_5281654 | Training set |
Morin | Structure2D_CID_5281670 | Training set |
Myricetin | Structure2D_CID_5281672 | Training set |
Scutellarein | Structure2D_CID_5281697 | Training set |
Tamarixetin | Structure2D_CID_5281699 | Training set |
Daidzein | Structure2D_CID_5281708 | Training set |
3-Methyl galangin | Structure2D_CID_5281946 | Training set |
5-Hydroxyflavone | Structure2D_CID_68112 | Test set |
3,6,4′-Trihydroxyflavone | Structure2D_CID_688684 | Test set |
3,4′-Dihydroxyflavone | Structure2D_CID_688715 | Test set |
(±)-Naringenin | Structure2D_CID_932 | Test set |