Table 4 Categorical interpretation of test set prediction statistics for log10[S∞]
From: QSPR modeling of selectivity at infinite dilution of ionic liquids
Split (CV. %) | Acc | Sensitivity | Specificity | BA | PPV | NPV | |
|---|---|---|---|---|---|---|---|
log10[S∞] | 20 | 0.962 | 0.887 | 0.974 | 0.930 | 0.839 | 0.983 |
50 | 0.962 | 0.848 | 0.979 | 0.914 | 0.862 | 0.977 | |
80 | 0.968 | 0.872 | 0.983 | 0.927 | 0.886 | 0.980 |