Table 4 Proposed MAA models for the prediction of anti-HIV activity of PNAs in human PBM cells
From: Diverse models for anti-HIV activity of purine nucleoside analogs
Descriptor | Nature of range in the proposed model | Descriptor value | Number of compounds in each range | Sensitivity (%) | Specificity (%) | Non-error rate (%) | Overall accuracy of prediction (%) | MCC | Average EC50 (μM) of correctly predicted compounds in each range | Average SI of correctly predicted compounds in each range | |
|---|---|---|---|---|---|---|---|---|---|---|---|
Total | Correctly predicted | ||||||||||
A2 | Lower inactive | <0.901 | 3 | 3 | 63 | 100 | 81.5 | 91.7 | 0.75 | 67.1 | 15.205 |
Active | 0.901 to 0.922 | 5 | 5 | 0.182 | 825.741 | ||||||
Upper inactive | >0.922 | 28 | 25 | 33.613 | 66.665 | ||||||
A4 | Lower inactive | <2.76 | 9 | 9 | 63 | 100 | 81.5 | 91.7 | 0.75 | 78.855 | 6.544 |
Active | 2.76 to 4.599 | 5 | 5 | 0.182 | 825.741 | ||||||
Upper inactive | >4.599 | 22 | 19 | 17.47 | 43.186 | ||||||
A23 | Lower inactive | <9.61 | 18 | 18 | 100 | 96 | 98 | 96.9 | 0.91 | 18.056 | 36.560 |
Transitional | 9.61 to 43.43 | 4 | NA | 4.138 | 102.32 | ||||||
Active | 43.44 to 357.424 | 7 | 6 | 0.141 | 859.542 | ||||||
Upper inactive | >357.424 | 7 | 7 | 100 | 100 | ||||||
A37 | Active | 1.531 to 1.589 | 5 | 5 | 63 | 100 | 81.5 | 91.7 | 0.75 | 0.134 | 920.339 |
Inactive | >1.589 | 24 | 21 | 37.201 | 31.408 | ||||||