Research Article

3D-QSAR Study on a Series of VEGFR-2 Kinase Inhibitors: 3-Pyrrole Substituted Indolin-2-Ones Compounds

Table 3

The comparison of experimental and predicted activities of 34 compounds in training set and test set.

Compd.Experimental pIC50Predicted pIC50ResidualaCompd.Experimental pIC50Predicted pIC50Residuala

15.9106.338−0.428186.8546.1710.683
26.5236.5030.020196.5235.9980.525
37.3017.312−0.011205.3605.654−0.294
47.0977.317−0.220216.2845.9550.329
57.5697.3370.232227.6997.963−0.264
67.4957.3410.154236.6996.903−0.204
77.0977.318−0.221246.4566.644−0.188
87.2227.392−0.170254.5485.512−0.964
97.6026.5511.05126*6.0005.6830.317
107.0467.230−0.18427*5.6706.230−0.560
116.7967.079−0.28328*6.6206.1270.493
127.0717.0460.02529*6.0366.123−0.087
135.6146.043−0.42930*5.8706.061−0.191
145.7626.344−0.58231*6.5235.9550.568
157.1556.0471.10832*7.0466.0371.009
165.9005.8170.08333*5.8335.6870.146
175.0815.850−0.76934*6.3475.9090.438

Test set; Residuala = Experimental – Predicted.