Table 3.

The average CI and MSE scores of the test set trained on five different training sets for the Davis dataset

	Proteins	Compounds	CI (std)	MSE
KronRLS (Pahikkala et al., 2014)	S–W	Pubchem Sim	0.871 (0.0008)	0.379
SimBoost (He et al., 2017)	S–W	Pubchem Sim	0.872 (0.002)	0.282
DeepDTA	S–W	Pubchem Sim	0.790 (0.009)	0.608
DeepDTA	CNN	Pubchem Sim	0.835 (0.005)	0.419
DeepDTA	S–W	CNN	0.886 (0.008)	0.420
DeepDTA	CNN	CNN	0.878 (0.004)	0.261

Note: The standard deviations are given in parenthesis.