Com. pIC50 2D QSAR Model-1 2D  QSAR model-2 2D  QSAR model-3
Pred. Res. Pred. Res. Pred. Res.
1 4.5142 4.5025 0.0117 4.5760 -0.0618 4.5071 0.0071
2 3.8827 3.7289 0.1538 3.5602 0.3225 3.8565 0.0262
3 5.3914 5.3884 0.003 5.4473 -0.0559 5.4269 -0.0355
4 6.3381 6.2834 0.0547 6.3064 0.0317 6.3004 0.0377
5 5.7878 5.7266 0.0612 5.6906 0.0972 5.5156 0.2722
6 5.7544 5.7311 0.0233 5.3742 0.3802 5.6645 0.0899
7 4.585 4.3007 0.2843 4.2214 0.3636 4.2154 0.3696
8 4.0423 4.198 -0.1557 4.1349 -0.0926 4.0298 0.0125
9 4.5436 4.5063 0.0373 4.4956 0.048 4.5016 0.042
10 5.4294 5.4625 -0.0331 5.3463 0.0831 5.3545 0.0749
11 5.0118 5.167 -0.1552 5.1459 -0.1341 5.1551 -0.1433
12 4.7904 4.7947 -0.0043 4.7327 0.0577 4.7427 0.0477
13 4.5199 4.4922 0.0277 4.3954 0.1245 4.4066 0.1133
14 4.91 4.8786 0.0314 4.8533 0.0567 4.8641 0.0459
15 4.4294 4.4415 -0.0121 4.3402 0.0892 4.3485 0.0809
16 4.6716 4.6075 0.0641 4.6685 0.0031 4.6838 -0.0122
17 5.4814 5.318 0.1634 5.2743 0.2071 5.2891 0.1923
18 4.4236 4.4157 0.0079 4.4208 0.0028 4.296 0.1276
19 4.8728 4.8718 0.001 4.8432 0.0296 4.8571 0.0157
20 4.5968 4.3168 0.28 4.2768 0.32 4.2922 0.3046
21 4.6401 4.6168 0.0233 4.6745 -0.0344 4.6896 -0.0495
22 4.7904 4.713 0.0774 4.777 0.0134 4.7922 -0.0018
23 5.4559 5.3027 0.1532 5.2753 0.1806 5.2891 0.1668
24 4.7644 4.7937 -0.0293 4.6479 0.1165 4.6622 0.1022
25 6.1549 6.2882 -0.1333 6.2505 -0.0956 6.2649 -0.11
26 4.7351 4.7429 -0.0078 4.7058 0.0293 4.7216 0.0135
27 5.0087 5.1679 -0.1592 5.042 -0.0333 5.055 -0.0463
28 5.3251 5.3506 -0.0255 5.1184 0.2067 5.2311 0.094
29 4.7099 4.7151 -0.0052 4.6927 0.0172 4.6025 0.1074
30 4.7281 4.6212 0.1069 4.675 0.0531 4.6914 0.0367
31 4.7594 4.7977 -0.0383 4.7604 -0.001 4.7762 -0.0168
32 4.7721 4.7702 0.0019 4.4842 0.2879 4.6009 0.1712
Table 3: Predicted activities according to QSAR models results of 2-substituent-1H-benzimidazole-4-carboxamide.