From: Diverse models for anti-HIV activity of purine nucleoside analogs
Model | Description | Ranges | Number of compounds predicted | Sensitivity (%) | Specificity (%) | Non-error rate (%) | Overall accuracy of prediction (%) | MCC | |
---|---|---|---|---|---|---|---|---|---|
Active | Inactive | ||||||||
Decision tree | Training set | Active | 08 | 00 | 100 | 100 | 100 | >99.9 | 1.00 |
Inactive | 00 | 28 | |||||||
Tenfold cross-validated set | Active | 06 | 02 | 75 | 93 | 84 | 89 | 0.68 | |
Inactive | 02 | 26 | |||||||
Random forest | Â | Active | 05 | 03 | 62.5 | 89 | 75.7 | 83 | 0.52 |
Inactive | 03 | 25 | |||||||
Support vector machine | Training set | Active | 04 | 02 | 66.7 | 100 | 83.3 | 93 | 0.78 |
Inactive | 00 | 21 | |||||||
Test set | Active | 01 | 01 | 50 | 86 | 68 | 78 | 0.36 | |
Inactive | 01 | 06 |