Table 4 Validation statistics derived from the best MLP model of 108 non-sensitisers and 101 sensitisers using 7 DRAGON descriptors.
From: Global QSAR models of skin sensitisers for regulatory purposes
Training (%) | Test (%) | |
|---|---|---|
Accuracy | 84 | 71 |
Precision | 80 | 76 |
Sensitivity (class S) | 85 | 70 |
Specificity (class NC) | 87 | 67 |
F-measure | 82 | 73 |