. Author manuscript; available in PMC: 2012 Aug 1.

Published in final edited form as: Bioorg Med Chem. 2011 Jun 16;19(15):4552–4561. doi: 10.1016/j.bmc.2011.06.026

Table 1.

Statistics of partial least squares predictive models for a biological dataset of synthetic arylimidamides with activities against L. donovani axenic amastigotes (LD) and L. amazonensis intracellular parasites (LA).

	Rigid Alignment				Flexible Alignment

	CoMFA CoMSIA				CoMFA CoMSIA

	LA	LD	LA	LD	LA	LD	LA	LD

Q²	0.23	0.25	0.47	0.59	0.16	0.60	0.07	0.22
SEE	0.45	0.41	0.25	0.18	0.24	0.33	0.16	0.14
R²	0.68	0.77	0.91	0.96	0.91	0.85	0.96	0.97
F	29.1	44.5	61.4	137	131	78.0	159	229
SEE_bs	0.35	0.37	0.21	0.16	0.21	0.26	0.12	0.12
R²_bs	0.80	0.82	0.94	0.97	0.93	0.90	0.98	0.98