Evaluation strategy | Method | ACC | BACC | Sn | Sp | MCC | AUC |
---|---|---|---|---|---|---|---|
Cross-validation | MLP-PubChem | 0.873 | 0.872 | 0.850 | 0.895 | 0.749 | 0.923 |
SVMLN-APAAC | 0.873 | 0.874 | 0.916 | 0.831 | 0.755 | 0.891 | |
SVMLN-PubChem | 0.878 | 0.877 | 0.887 | 0.866 | 0.762 | 0.915 | |
SVMRBF-PubChem | 0.882 | 0.881 | 0.869 | 0.894 | 0.767 | 0.904 | |
MLP-PAAC | 0.882 | 0.884 | 0.871 | 0.897 | 0.773 | 0.914 | |
TIPred | 0.916 | 0.917 | 0.917 | 0.917 | 0.837 | 0.955 | |
Independent test | MLP-PubChem | 0.889 | 0.921 | 0.963 | 0.878 | 0.671 | 0.957 |
SVMLN-APAAC | 0.880 | 0.899 | 0.926 | 0.873 | 0.637 | 0.920 | |
SVMLN-PubChem | 0.875 | 0.928 | 1.000 | 0.856 | 0.660 | 0.965 | |
SVMRBF-PubChem | 0.880 | 0.931 | 1.000 | 0.862 | 0.669 | 0.946 | |
MLP-PAAC | 0.870 | 0.910 | 0.963 | 0.856 | 0.636 | 0.960 | |
TIPred | 0.923 | 0.956 | 1.000 | 0.912 | 0.757 | 0.977 |