. 2013 Nov 8;18(11):13870–13885. doi: 10.3390/molecules181113870

Table 3.

Summary of statistical results for COMFA and COMSIA models.

Parameters	COMFA	COMSIA
Parameters	COMFA	IA	IB	IC	ID	IE	IF
Component	6	6	6	6	6	6	6
q²^a	0.521	0.694	0.736	0.681	0.749	0.714	0.671
S_cv^b	0.629	0.503	0.467	0.514	0.455	0.487	0.522
r_cv ^c	0.488	0.655	0.702	0.687	0.722	0.707	0.758
r_ncv^{2 d}	0.999	0.992	0.992	0.995	0.995	0.992	0.994
F ^e	1049.253	174.433	163.561	243.308	291.917	174.561	214.532
SEE ^f	0.032	0.079	0.082	0.067	0.061	0.079	0.071
Fraction
Steric	0.466	0.084	0.095	0.087	0.119		0.096
Electrostatic	0.534	0.425	0.503	0.553	0.708	0.484	0.488
Hydrophobic		0.130	0.147	0.152	0.173	0.143
Donor		0.199	0.255			0.193	0.233
Acceptor		0.157		0.209		0.180	0.192
^g	0.446	0.516	0.435	0.611	0.554	0.548	0.477

^a Leave-one-out cross validated correlation coefficient; ^b Leave-one-out cross-validated standard error; ^c Conventional correlation of group cross-validation; ^d Non-cross-validated correlation coefficient; ^e F-test value; ^f Standard error of estimate of non-cross-validated correlation coefficient; ^g External predictivity.