Fig. 3From: Integrating concept of pharmacophore with graph neural networks for chemical property prediction and interpretationModel performance on kinase datasets in terms of AUC. a Model performance based on random splitting datasets. Our model RG-MPNN performs slightly better or comparable than AttentiveFP, better than MPNN model. b Model performance based on scaffold splitting datasets. Same trend is seen as (a), but performance is generally lower than that of (a)Back to article page