Table 5.
The results of external validation by the MLR and ANN methods.
N | LogIC50 | Pred (LogIC50) MLR | Residual | Pred (LogIC50) | Residual |
---|---|---|---|---|---|
1 | 1.358 | 0.99 | 0.388 | 0.776 | 0.443 |
6 | 0.953 | 0.984 | -0.013 | 0.769 | 0.042 |
10 | 1.621 | 2.119 | -0.158 | 2.099 | -0.109 |
17 | 0.666 | 0.65 | -0.061 | 0.611 | -0.146 |
24 | 0.412 | 0.646 | -0.312 | 0.525 | -0.347 |
29 | 1.167 | 1.155 | 0.079 | 1.014 | 0.106 |
33 | 1.308 | 1.326 | 0.097 | 1.393 | 0.013 |
36 | 0.769 | 0.736 | -0.02 | 0.544 | -0.002 |