Method | Drug | Protein | Interaction | CI | MSE | \(r^2_m\) | |
---|---|---|---|---|---|---|---|
KIBA | KronRLS [16] | Pubchem Sim | S-W | – | 0.782 (0.001) | 0.411 | 0.342 (0.001) |
SimBoost [17] | Pubchem Sim | S-W | – | 0.836 (0.001) | 0.222 | 0.629 (0.007) | |
DeepDTA [6] | CNNs | CNNs | Concatenation | 0.863 (0.002) | 0.194 | 0.673 (0.009) | |
MT-DTI [23] | SANs | SANs | Concatenation | 0.882 (0.002) | 0.152 | 0.738 (0.006) | |
GANsDTA [20] | GANs | GANs | Concatenation | 0.866 (−) | 0.224 | 0.675 (−) | |
CrossAttentionDTI [24] | Cross SANs | Cross SANs | Concatenation | 0.874 (0.001) | 0.175 | – | |
Ours | MSSAN | MSSAN | Concatenation | 0.890 (0.002) | 0.155 | 0.742(0.010) | |
Davis | KronRLS [16] | Pubchem Sim | S-W | – | 0.871 (0.001) | 0.379 | 0.407 (0.005) |
SimBoost [17] | Pubchem Sim | S-W | – | 0.872 (0.001) | 0.282 | 0.644 (0.006) | |
DeepDTA [6] | CNNs | CNNs | Concatenation | 0.878 (0.004) | 0.261 | 0.630 (0.017) | |
MT-DTI [23] | SANs | SANs | Concatenation | 0.887 (0.003) | 0.245 | 0.665 (0.014) | |
GANsDTA [20] | GANs | GANs | Concatenation | 0.881 (−) | 0.276 | 0.653 (−) | |
CrossAttentionDTI [24] | Cross SANs | Cross SANs | Concatenation | 0.876 (0.006) | 0.244 | – | |
Ours | MSSAN | MSSAN | Concatenation | 0.890 (0.005) | 0.233 | 0.681 (0.014) |