Skip to main content
. 2013 May 28;4(9):1256–1266. doi: 10.1021/cn4000428

Table 1. Top Five δ Receptor Conformationally Sampled Pharmacophore Models That Define the Final Predictive Modela.

model # a X1 b X2 c R2 p-value correlation coefficient
1 0.465 AB 0.514 BN 0.028 0.962 0.00005 0.815
2 0.730 AB 0.235 ANB –0.031 0.919 0.00054 0.519
3 0.760 AB 0.187 BAN –0.026 0.911 0.00071 0.442
4 0.749 AB 0.182 ABN –0.037 0.893 0.00121 0.603
5 1.094 BN –0.196 ANB 0.108 0.890 0.00133 0.797
a

Multiple regression equations, efficacy = aX1 + bX2 + c. N represents the basic nitrogen, A is the aromatic ring and B is the hydrophobic group, as shown in Figure S1 of the Supporting Information. X1 and X2 are overlap integrals with respect to the reference compound, while a and b are coefficients for variables X1 and X2 and c is the y-intercept in the regression equations. R2 is the goodness of fit, p-value is the significance of models, and correlation coefficients between X1 and X2 overlap coefficients.