Comparison results of the proposed MGraphDTA and baselines on the Human and C. elegans datasets (classification).

Dataset	Model	Precision	Recall	AUC
Human	GNN-CNN	0.923	0.918	0.970
	TrimNet-CNN	0.918	0.953	0.974
	GraphDTA	0.882 (0.040)	0.912 (0.040)	0.960 (0.005)
	DrugVQA(VQA-seq)	0.897 (0.004)	0.948 (0.003)	0.964 (0.005)
	TransformerCPI	0.916 (0.006)	0.925 (0.006)	0.973 (0.002)
	MGNN-CNN (ours)	0.953 (0.006)	0.950 (0.004)	0.982 (0.001)
	MGNN-MCNN (ours)	0.955 (0.005)	0.956 (0.003)	0.983 (0.003)
C. elegans	GNN-CNN	0.938	0.929	0.978
	TrimNet-CNN	0.946	0.945	0.987
	GraphDTA	0.927 (0.015)	0.912 (0.023)	0.974 (0.004)
	TransformerCPI	0.952 (0.006)	0.953 (0.005)	0.988 (0.002)
	MGNN-CNN (ours)	0.979 (0.005)	0.961 (0.002)	0.991 (0.002)
	MGNN-MCNN (ours)	0.980 (0.004)	0.967 (0.005)	0.991 (0.001)