Model | Field type2-a | q2 2-b | N2-c | r2 2-d | s2-e | F2-f | ste2-g | liph |
---|---|---|---|---|---|---|---|---|
1 | ste | 0.57 | 3 | 0.953 | 0.147 | 263 | 100 | |
2 | lip | 0.34 | 5 | 0.964 | 0.132 | 198 | 100 | |
3 | ste and lip | 0.47 | 4 | 0.967 | 0.124 | 282 | 41.9 | 58.1 |
↵2-a Molecular field(s) used in CoMFA: ste, steric field; ele, electrostatic field; lip, lipophilic field.
↵2-b Cross-validation correlation coefficient.
↵2-c Number of components used in final PLS analyses (see text).
↵2-d Correlation coefficient of the final PLS analysis.
↵2-e Standard error of estimate, measure of the unexplained uncertainty.
↵2-f F ratio: the higher the F ratio, the better the PLS analysis.
↵2-g Relative contribution of the steric (ste) and lipophilic (lip) fields in the final PLS analysis.