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Table 7 Observed values and calculated values of pIC50 according to different methods

From: QSAR studies on PIM1 and PIM2 inhibitors using statistical methods: a rustic strategy to screen for 5-(1H-indol-5-yl)-1,3,4-thiadiazol analogues and predict their PIM inhibitory activity

No pIC50 (obs) pIC50 PIM1 (pred) pIC50 PIM2 (pred)
MLR MLR
1a 5.567 6.781 6.161
2b 5.996 6.769 5.581
3 5.787 6.744 4.604
4 4.657 5.440 6.154
5a 6.458 6.495 7.250
6b 6.010 6.708 7.455
7 6.983 7.793 6.373
8a 7.229 7.967 7.388
9a, b 7.431 7.791 7.708
10 7.677 7.781 7.446
11b 6.644 7.996 8.308
12 6.717 6.622 7.265
13 7.376 7.870 7.252
14 7.920 8.049 7.379
15 8.000 7.844 7.016
16 8.221 8.398 7.487
17 7.744 8.148 7.039
18 7.657 7.638 7.186
19 8.000 8.000 7.334
20 7.387 7.756 6.475
21 6.943 7.965 7.206
22b 7.552 7.689 8.003
23a, b 7.769 8.524 8.223
24a 7.602 8.408 5.947
25 5.889 7.578 7.268
  1. a, bAre the test sets for PIM1 and PIM2 inhibitory activities respectively