Correctly classified 1398 of 1400 (99.86%), chemical structures with respect to known in vitro activity against HIV1 (Table 1).
Sensitivity, Specificity and Predictive Values were all >99%
The area under the receiver operator curve (ROC) for the hybrid model was 0.978

N=1400 molecules; 573 Active and 827 Inactive against HIV in vitro

Active Inactive PPV NPV

Active 573 2 99.65%

Inactive 0 825 100%

Sensitivity 100%
Specificity 99.76%
Area under ROC = 0.978