Table 3 Compared statistics, on the test set, between the integrated model and its single components: the SVM statistical model and the Benigni/Bossa structural alerts set for mutagenicity.
Test set (837 chemicals) | Benigni/Bossa rulebase | SVM classifier | Integrated model (max accuracy) | Integrated model (min FNs) |
|---|---|---|---|---|
accuracy: | 78.3% | 81.2% | 82.1% | 81.8% |
sensitivity: | 86% | 84.1% | 86.7% | 89.7% |
specificity: | 69.6% | 77.7% | 76.3% | 72% |
SAs: | 30 | Â | 12 | 16 |
descriptors: | Â | 25 | 25 | 25 |