Table 3.

Results on the Biosnap dataset in the DDI task

Dataset	Method	ROC–AUC	PR–AUC	F1
Biosnap	LR	0.802 ± 0.001	0.779 ± 0.001	0.741 ± 0.002
	Nat.Port	0.853 ± 0.001	0.848 ± 0.001	0.714 ± 0.001
	Mol2Vec	0.879 ± 0.006	0.861 ± 0.005	0.798 ± 0.007
	MolVAE	0.892 ± 0.009	0.877 ± 0.009	0.788 ± 0.033
	DeepDDI	0.886 ± 0.007	0.871 ± 0.007	0.817 ± 0.007
	Caster	0.910 ± 0.005	0.887 ± 0.008	0.843 ± 0.005
	MCL-DDI	0.996 ± 0.001	0.994 ± 0.001	0.986 ± 0.002