Skip to main content
. 2016 Jul 29;17(8):1221. doi: 10.3390/ijms17081221

Table 6.

External validation of the established QSAR model.

Compound Experimental Activity (LogIC50) Predicted Activity (LogIC50) Residual Num_ExplicitAtoms Molecular_SAVol CHI_V_3_C Jurs_RPCS
5e 2.1497 2.1497 0.00 31 423.74 0.473 0.795
5j 1.3504 1.3504 0.00 32 423.66 0.482 3.313