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Table 3 Flavonoids classified by its corresponding PubChem CID and training/test set

From: Predictive QSAR model confirms flavonoids in Chinese medicine can activate voltage-gated calcium (CaV) channel in osteogenesis

FlavonoidsPubChem CIDTraining and test data set
5,7,2′-TrihydroxyflavoneStructure2D_CID_21611827Training set
NaringinStructure2D_CID_442428Training set
(±)-TaxifolinStructure2D_CID_471Training set
QuercetinStructure2D_CID_5280343Training set
ApigeninStructure2D_CID_5280443Training set
LuteolinStructure2D_CID_5280445Training set
RutinStructure2D_CID_5280805Training set
KaempferolStructure2D_CID_5280863Training set
GenisteinStructure2D_CID_5280961Training set
BaicaleinStructure2D_CID_5281605Training set
ChrysinStructure2D_CID_5281607Training set
ResokaempferolStructure2D_CID_5281611Training set
GalanginStructure2D_CID_5281616Training set
IsorhamnetinStructure2D_CID_5281654Training set
MorinStructure2D_CID_5281670Training set
MyricetinStructure2D_CID_5281672Training set
ScutellareinStructure2D_CID_5281697Training set
TamarixetinStructure2D_CID_5281699Training set
DaidzeinStructure2D_CID_5281708Training set
3-Methyl galanginStructure2D_CID_5281946Training set
5-HydroxyflavoneStructure2D_CID_68112Test set
3,6,4′-TrihydroxyflavoneStructure2D_CID_688684Test set
3,4′-DihydroxyflavoneStructure2D_CID_688715Test set
(±)-NaringeninStructure2D_CID_932Test set