2D-QSAR and 3D-QSAR Analyses for EGFR Inhibitors

Table 1

The results of prediction accuracy for different data sets containing 9 molecular descriptors using SVM classifier. DS and EP present data set and evaluation parameters, respectively.

EP	DS
	Train set (75%)	Train set (70%)	Train set (50%)	Test set (30%)
SN (%)	97.22	98.55	91.94	96.77
SP (%)	98.59	99.23	90.67	98.18
ACC (%)	98.13	98.99	91.24	97.67
MCC	0.958	0.978	0.824	0.950