. Author manuscript; available in PMC: 2008 Jun 1.

Published in final edited form as: Bioorg Med Chem. 2007 Mar 12;15(11):3801–3817. doi: 10.1016/j.bmc.2007.03.012

Table 9.

Correlation coefficients for the QSAR models.

Compound	Enzyme	Observed versus predicted K_i values (r²)	Cross correlation coefficient (q²)	q²/r²
Benzoins	hiCE	0.816	0.751	0.92

	hCE1	0.914	0.861	0.94

	rCE	0.898	0.826	0.92

Benzils	hiCE	0.686	0.648	0.94

	hCE1	0.918	0.887	0.97

	rCE	0.885	0.848	0.96