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. 2021 Jul 3;7(7):e07463. doi: 10.1016/j.heliyon.2021.e07463

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)