. Author manuscript; available in PMC: 2013 Oct 30.

Published in final edited form as: J Biol Chem. 2007 Jun 5;282(33):10.1074/jbc.M703467200. doi: 10.1074/jbc.M703467200

Table 3.

Statistical analysis of global models

Model No.	r²_cv^a	N^b	r²^c	SEE^d	PRESS^e	F^f	% Contributions^g
Model No.	r²_cv^a	N^b	r²^c	SEE^d	PRESS^e	F^f	Steric	Electrostatics	logP
1	0.643	4	0.969	0.243	7.766	177.506	50.5	49.5	-
2	0.622	3	0.909	0.302	3.788	80.019	40.1	59.9	-
3	0.560	3	0.900	0.455	17.742	72.74	49.0	51.0	-
4	0.689	5	0.972	0.234	8.219	153.254	47.1	44.9	8.0
5	0.638	3	0.901	0.315	4.763	72.919	30.2	48.1	21.7
6	0.516	4	0.923	0.408	16.169	69.208	47.1	49.6	3.3

Cross-validated correlation coefficient.

Optimum number of components obtained form cross-validated PLS analysis.

Non cross-validated correlation coefficient.

Standard error of estimate.

Predictive residual sum of squares of test set

F-test value.

Field contributions: Steric, electrostatic and logP contributions from CoMFA.