Table 4 Performance of QSAR based predictive models developed on each of the HIV protein inhibitor (%) datasets during tenfold training/testing and on independent validation
From: HIVprotI: an integrated web based platform for prediction and design of HIV proteins inhibitors
Serial number | HIV protein | Inhibitor compounds | Number of selected descriptors | Pearson’s correlation coefficient (PCC) | p value | |||
|---|---|---|---|---|---|---|---|---|
Total | Training/testing | Independent validation | Training/testing (10×) | Independent validation | ||||
1 | Protease | 518 | 466 | 52 | 42 | 0.76 | 0.70 | 1.00e−8 |
2 | Reverse transcriptase | 563 | 507 | 56 | 49 | 0.68 | 0.63 | 1.00e−7 |
3 | Integrase | 186 | 168 | 18 | 23 | 0.72 | 0.65 | 1.00e−3 |