Comparison results of the proposed MGNN and GAT on the ToxCast dataset (regression).

Model	Proteins	Compounds	MSE	CI	r m 2 index
GraphDTA	MCNN	GAT	0.215 (0.007)	0.843 (0.005)	0.330 (0.007)
MGraphDTA	MCNN	MGNN	0.176 (0.007)	0.902 (0.005)	0.430 (0.006)