Dataset | Method | ROC–AUC | PR–AUC | Recall |
---|---|---|---|---|
Human | GNN-CPI [39] | 0.974 ± 0.004 | 0.973 ± 0.005 | 0.953 ± 0.019 |
DeepDTA [34] | 0.953 ± 0.002 | 0.981 ± 0.003 | 0.946 ± 0.024 | |
DeepConv-DTI [61] | 0.985 ± 0.001 | 0.982 ± 0.001 | 0.963 ± 0.002 | |
TransformerCPI [36] | 0.971 ± 0.002 | 0.973 ± 0.002 | 0.942 ± 0.004 | |
PWO-CPI [44] | 0.982 ± 0.003 | 0.980 ± 0.002 | 0.962 ± 0.001 | |
MolTrans [37] | 0.978 ± 0.002 | 0.978 ± 0.001 | 0.933 ± 0.003 | |
MCL-DTI | 0.987 ± 0.001 | 0.989 ± 0.001 | 0.961 ± 0.002 | |
C. elegans | GNN-CPI [39] | 0.978 ± 0.002 | 0.975 ± 0.005 | 0.949 ± 0.003 |
DeepDTA [34] | 0.987 ± 0.001 | 0.990 ± 0.002 | 0.964 ± 0.011 | |
DeepConv-DTI [61] | 0.980 ± 0.002 | 0.981 ± 0.001 | 0.937 ± 0.003 | |
TransformerCPI [36] | 0.985 ± 0.001 | 0.985 ± 0.002 | 0.952 ± 0.002 | |
PWO-CPI [44] | 0.979 ± 0.002 | 0.978 ± 0.003 | 0.933 ± 0.003 | |
MolTrans [37] | 0.985 ± 0.001 | 0.984 ± 0.002 | 0.962 ± 0.001 | |
MCL-DTI | 0.992 ± 0.001 | 0.994 ± 0.001 | 0.959 ± 0.002 | |
Davis | GNN-CPI [39] | 0.840 ± 0.012 | 0.269 ± 0.020 | 0.696 ± 0.047 |
DeepDTA [34] | 0.860 ± 0.002 | 0.238 ± 0.001 | 0.818 ± 0.003 | |
DeepConv-DTI [61] | 0.822 ± 0.003 | 0.192 ± 0.005 | 0.905 ± 0.004 | |
TransformerCPI [36] | 0.841 ± 0.001 | 0.227 ± 0.003 | 0.842 ± 0.004 | |
PWO-CPI [44] | 0.835 ± 0.004 | 0.188 ± 0.004 | 0.798 ± 0.003 | |
MolTrans [37] | 0.907 ± 0.002 | 0.404 ± 0.016 | 0.800 ± 0.022 | |
MCL-DTI | 0.922 ± 0.002 | 0.492 ± 0.002 | 0.895 ± 0.003 |