. Author manuscript; available in PMC: 2009 Nov 3.

Published in final edited form as: Bioorg Med Chem. 2008 Jan 30;16(7):3848–3865. doi: 10.1016/j.bmc.2008.01.044

Table 6.

PLS statistics of PHASE 3D QSAR models and prediction of test set.

Pharmacophore	Pharm_A	Pharm_B	Pharm_C	Pharm_D	Pharm_E
PLS Statistics of QSAR model
r²	0.916	0.886	0.901	0.923	0.929
SD	0.405	0.472	0.437	0.388	0.372
F	193.956	137.93	164.534	213.297	233.308
P	2.034e-37	1.081e-32	2.022e-35	9.200e-39	4.852e-40
PLS Components Results of test set	4	4	4	4	4
Predictive r² for the external test set	0.777	−0.006	0.125	−0.184	−0.742