. 2011 Dec 20;12(12):9533–9569. doi: 10.3390/ijms12129533

Table 11.

Predicted activity as computed for the non-Gaussian molecules of Table 4 with the models of Table 6 founded along the minimum paths of Table 9; for each predicted model, its correlation with the observed activity is indicated at the bottom of the table.

Model	$\| Y_{I I}^{L o g P, H} 〉$	$\| Y_{H U}^{L o g P, P O L} 〉$	$\| Y_{H U}^{L o g P, H} 〉$	${\| Y_{E U}^{L o g P, P O L} 〉}_{A}$	${\| Y_{E U}^{P O L, H} 〉}_{A}$	${\| Y_{P U}^{P O L, H} 〉}_{B}$
Molecule	$\| Y_{I I}^{L o g P, H} 〉$	$\| Y_{H U}^{L o g P, P O L} 〉$	$\| Y_{H U}^{L o g P, H} 〉$	${\| Y_{E U}^{L o g P, P O L} 〉}_{A}$	${\| Y_{E U}^{P O L, H} 〉}_{A}$	${\| Y_{P U}^{P O L, H} 〉}_{B}$
*NG1*	6.0865	5.918	5.308	5.387	5.351	7.210
*NG2*	5.581	5.839	5.399	5.448	4.816	4.578
*NG3*	6.785	6.132	7.526	5.686	1.423	7.234
*NG4*	7.115	6.642	6.037	6.289	5.480	7.765
*NG5*	6.495	7.382	6.853	7.277	6.033	7.629
*NG6*	6.163	7.291	6.426	7.104	7.338	7.647
*NG7*	5.790	7.388	6.087	7.615	6.879	6.547
*NG8*	5.761	7.560	6.330	7.640	7.895	7.447
*NG9*	5.467	5.755	4.786	5.177	7.586	7.303
*R-Pearson*	*0.778*	*0.468*	*0.454*	*0.431*	*0.057*	*0.451*