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. Author manuscript; available in PMC: 2011 Dec 6.
Published in final edited form as: Mol Pharm. 2010 Nov 1;7(6):2240–2254. doi: 10.1021/mp100233v

Table 5.

Results from multivariable regression and AICC analysis for the selected CSP-SAR models for Km/normVmax for Set 1. a

CSP-SAR Model r2 Q2 F Wi K
(µM)		 A
(µM/kcal/mol)		 B
(µM)		 C
(µM/Å2)		 D
(µM/Å2)		 Standardized
A
(µM/kcal/mol)		 Standardized
B (µM)		 Standardized
C (µM/Å2)		 Standardized
D (µM/Å2)
ΔGw, O7-AA-C18,
PSAside, SASA		 0.975 0.895 207 28.9 − 1210 ±
140		 − 9.61 ± 0.42 − 535
± 77		 0.600 ±
0.25		 0.835 ±
0.13		 −0.868 −0.296 0.087 0.249
ΔGw, O7-AA-C18,
SASA, PSA		 0.974 0.867 197 15.1 − 1218 ±
148		 − 9.62 ± 0.44 − 556
± 82		 0.828 ±
0.14		 0.554 ±
0.26		 −0.869 −0.307 0.247 0.081
a

A, B, C and D represent the coefficient of the independent variables (molecular descriptors); K represents the coefficient of the intercept. Set 1 includes all compounds that were substrates.