Table 4.

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

	Proteins	Compounds	CI (std)	MSE
KronRLS (Pahikkala et al., 2014)	S–W	Pubchem Sim	0.782 (0.0009)	0.411
SimBoost (He et al., 2017)	S–W	Pubchem Sim	0.836 (0.001)	0.222
DeepDTA	S–W	Pubchem Sim	0.710 (0.002)	0.502
DeepDTA	CNN	Pubchem Sim	0.718 (0.004)	0.571
DeepDTA	S–W	CNN	0.854 (0.001)	0.204
DeepDTA	CNN	CNN	0.863 (0.002)	0.194

Note: The standard deviations are given in parenthesis.