Table 2

Statistics for CoMFA models

ModelField type2-aq22-bN2-cr22-ds2-eF2-fste2-gliph
1ste0.5730.9530.147263100
2lip0.3450.9640.132198100
3ste and lip0.4740.9670.12428241.958.1
  • 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.