Fig. 3From: Could graph neural networks learn better molecular representation for drug discovery? A comparison study of descriptor-based and graph-based modelsThe distributions of the prediction scores for the 1960 screened molecules predicted by the four descriptor-based models including a SVM, b XGBoost, c RF, d DNN and the four graph-based models including e GCN, f GAT, g MPNN and h Attentive FPBack to article page