Table 6 Subdivisions of the skin sensitisation data set into binary classes.
From: Global QSAR models of skin sensitisers for regulatory purposes
LLNA Class | Total compounds | Training | Test | |
|---|---|---|---|---|
Non-sensitisers | NC | 42 | 34 | 8 |
Sensitisers | Weak+Moderate+Strong+Extreme | 167 | 133 | 34 |
Non-sensitisers | Weak+NC | 108 | 87 | 21 |
Sensitisers | Moderate+Strong+Extreme | 101 | 80 | 21 |
209 | 167 | 42 |