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
Anti-HIV 2 x 2 Table
Active
Inactive
Active
573
2
Inactive
0
825
Analysis
Positive Predicitve
Value
99.65%
Negative Predictive
Value
100%
Sensitivity
100%
Specificity
99.76%
Area Under ROC
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
