Tab. 4.
Activity predicted for the newly designed compounds based on the 11 QSAR models developed in the present work.
| Cpd. No. | Model A1 | Model A2 | Model A3 | Model A4 | Model B1 | Model B2 | Model B3 | Model C1 | Model C2 | Model C3 | Model C4 | APA* |
|---|---|---|---|---|---|---|---|---|---|---|---|---|
| N1 | 4.085 | 9.362 | 4.281 | 3.915 | 3.213 | 2.697 | 3.282 | 4.900 | 7.824 | 3.851 | 8.831 | 5.113 |
| N2 | 4.245 | 10.777 | 4.368 | 3.945 | 3.818 | 3.170 | 3.055 | 4.497 | 9.414 | 4.117 | 10.525 | 5.630 |
| N3 | 3.414 | 7.474 | 3.644 | 3.493 | 3.533 | 3.254 | 3.652 | 3.971 | 6.578 | 3.493 | 7.281 | 4.526 |
| N4 | 3.567 | 8.805 | 3.731 | 3.560 | 3.278 | 3.038 | 3.481 | 4.041 | 7.506 | 3.508 | 8.386 | 4.809 |
| N5 | 3.517 | 7.759 | 3.696 | 3.558 | 3.594 | 3.278 | 3.911 | 3.982 | 6.929 | 3.557 | 7.759 | 4.685 |
| N6 | 3.674 | 9.155 | 3.785 | 3.600 | 3.558 | 3.249 | 3.739 | 4.011 | 8.023 | 3.635 | 9.012 | 5.040 |
| N7 | 3.678 | 9.276 | 3.783 | 3.633 | 3.592 | 3.261 | 3.736 | 4.110 | 8.044 | 3.646 | 9.053 | 5.074 |
| N8 | 3.834 | 10.614 | 3.872 | 3.665 | 3.526 | 3.186 | 3.567 | 4.067 | 9.171 | 3.711 | 10.338 | 5.414 |
| N9 | 3.772 | 10.125 | 4.738 | 4.387 | 4.727 | 4.039 | 2.878 | 4.405 | 9.143 | 4.500 | 9.643 | 5.669 |
| N10 | 3.931 | 11.553 | 4.825 | 4.416 | 3.462 | 2.898 | 2.950 | 4.368 | 9.469 | 4.211 | 10.740 | 5.711 |
| N11 | 3.787 | 8.678 | 4.513 | 4.362 | 4.300 | 3.708 | 3.063 | 3.858 | 7.928 | 4.153 | 8.685 | 5.185 |
| N12 | 3.948 | 10.130 | 4.599 | 4.402 | 4.330 | 3.754 | 2.886 | 3.936 | 9.029 | 4.248 | 9.979 | 5.567 |
| N13 | 3.844 | 8.990 | 3.749 | 3.566 | 3.494 | 3.154 | 3.676 | 3.816 | 7.809 | 3.591 | 8.747 | 4.949 |
| N14 | 3.624 | 8.496 | 4.364 | 4.291 | 4.113 | 3.561 | 3.233 | 3.668 | 7.546 | 3.974 | 8.492 | 5.033 |
| N15 | 3.784 | 9.786 | 4.449 | 4.323 | 3.239 | 2.816 | 3.107 | 4.069 | 8.181 | 3.798 | 9.347 | 5.173 |
*.
average predicted activity.