A Predictive HQSAR Model for a Series of Tricycle Core Containing MMP-12 Inhibitors with Dibenzofuran Ring

Table 2

Statistical characteristics of the developed HQSAR model.

Parameter	Value
Number of compounds included in training set	26
Optimum number of components used in the PLS analysis	6
(cross-validated correlation coefficient)	0.697
SEE^a ()	0.428
(non-cross-validated correlation coefficient)	0.986
SEE ()	0.093
(ensemble^b)	0.528
SEE (ensemble)	0.530
Best hologram length	199
Used information	Atoms; + Connections; + Hydrogen; atoms
	0.8733

SEE: standard error of estimate. ^bFor each hologram length, a model could be established. The collection of these models comprises the ensemble.