From: An ensemble model of QSAR tools for regulatory risk assessment
Model | Accuracy (%) | SN (%) | SP (%) | BA (%) | PPV (%) | NPV (%) | Kappa (\(\kappa\)) |
---|---|---|---|---|---|---|---|
Toxtree | 75.56 | 68.18 | 79.51 | 73.85 | 64.10 | 82.32 | 0.47 |
Lazar | 75.24 | 74.55 | 75.61 | 75.08 | 62.12 | 84.70 | 0.48 |
Danish QSAR | 74.29 | 80.91 | 70.73 | 75.82 | 59.73 | 87.35 | 0.48 |
OECD toolbox | 76.19 | 69.09 | 80.00 | 74.55 | 64.96 | 82.83 | 0.48 |
Bayes ensemble (Cut-off = 0.4) | 83.81 | 70.00 | 91.22 | 80.61 | 81.05 | 85.00 | 0.63 |
Bayes ensemble (Cut-off = 0.5) | 83.81 | 70.00 | 91.22 | 80.61 | 81.05 | 85.00 | 0.63 |
Bayes ensemble (Cut-off = 0.6) | 82.22 | 65.45 | 91.22 | 78.34 | 80.00 | 83.11 | 0.59 |