Table 3.

CI and MSE scores for the Kiba dataset on the independent test.

Method	Protein rep.	Compound rep.	CI	MSE
DeepDTA	Smith-Waterman	Pubchem-Sim	0.710	0.502
DeepDTA	Smith-Waterman	CNN	0.854	0.204
DeepDTA	CNN	Pubchem-Sim	0.718	0.571
DeepDTA	CNN	CNN	0.863	0.194
KronRLS	Smith-Waterman	Pubchem-Sim	0.782	0.411
SimBoost	Smith-Waterman	Pubchem-Sim	0.836	0.222
GANsDTA	GAN	GAN	0.866	0.224

Bolded texts mean the best results.