Table 3: Quantitative structure–activity relationship statistics of important equation#.
Parameters
Statistical values
N Train
56
N test
24
NV
3
R
0.920
R2
0.846
Variance
0.335
Std
0.578
F
95.465
R2bt
0.852
Chance
<0.001
Q2
0.818
SPRESS
0.629
SDEP
0.606
R2pred
0.821
rm2 (Loo)
0.799
rm2 (Predicated)
0.675
rm2(Overall)
0.782
#N Train= number of training set, N Test= number of test set, NV= number of variables, R= coefficient of correlation, R2= squared correlation coefficient, Std= standard deviation of estimation, F= Fischer’s value, R2bt= bootstrapping square correlation coefficient, Q2=cross-validated squared correlation coefficient, SPRESS= predictive residual sum of square, SDEP = standard error of prediction. R2 = predicted coefficient of correlation