Table 9.
Predicted values of pIC50 obtained by the QSAR models developed and observed pIC50 for Crizotinib.
Compounds | pred (pIC50) c-Met |
IC50 (nM) c-Met |
|||||
---|---|---|---|---|---|---|---|
MLR | MNLR | ANN | MLR | MNLR | ANN | ||
5 | 9.27 | 9.28 | 9.33 | 0.537 | 0.190 | 0.467 | |
9 | 9.66 | 9.72 | 9.66 | 0.212 | 0.281 | 0.218 | |
14 | 9.92 | 9.55 | 9.42 | 0.120 | 0.490 | 0.380 | |
16 | 9.25 | 9.31 | 9.36 | 0.562 | 0.204 | 0.436 | |
27 | 9.71 | 9.69 | 9.66 | 0.194 | 0.223 | 0.218 | |
40 | 9.64 | 9.65 | 9.64 | 0.230 | 0.363 | 0.230 | |
46 |
9.39 |
9.44 |
9.54 |
0.407 |
0.190 |
0.288 |
|
Crizotinib | |||||||
Observed (pIC50 = 8.09) | Observed (IC50 =8 nM) |