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. 2014 Jun 25;2014:291214. doi: 10.1155/2014/291214

Table 4.

Experimental and predicted IC50 values of BChE inhibitors in the training set.

S. number Actual
IC50 (nM)
Estimate
IC50 (nM)
Error Fit value Exptl. scale Predicted scale
17. 3.3 1 −3.3 9.53 +++ +++
31. 4.9 7.4 1.5 8.66 +++ +++
32. 7.5 20 2.7 8.22 +++ +++
2. 16 65 4 7.72 +++ +++
33. 24.5 53 2.1 7.81 +++ +++
34. 38.3 94 2.4 7.56 +++ +++
35. 41.5 78 1.9 7.64 +++ +++
1. 48 48 −1 7.85 +++ +++
36. 65 39 −1.7 7.94 +++ +++
37. 72 41 −1.8 7.92 +++ +++
8. 81 100 1.3 7.52 +++ +++
38. 100 84 −1.2 7.6 +++ +++
4. 110 160 1.5 7.32 ++ ++
39. 136 160 1.2 7.32 ++ ++
9. 200 160 −1.3 7.34 ++ ++
40. 320 250 −1.3 7.14 ++ ++
41. 529 870 1.6 6.59 ++ ++
24. 800 640 −1.2 6.72 ++ ++
42. 1270 850 −1.5 6.6 ++ ++
26. 1800 5100 2.8 5.82 + +
25. 2600 16000 5.9 5.34 + +
43. 4650 2600 −1.8 6.11 + +
44. 29500 14000 −2.1 5.38 + +
29. 64000 15000 −4.3 5.36 + +
45. 269000 15000 −18 5.35 + +