Synthesis, Antibacterial Evaluation, and QSAR of Caffeic Acid Derivatives

Table 2

Statistical parameters of the 3D-QSAR models for the antibacterial activity against E. coli and S. aureus.

	E. coli	S. aureus
No. PCs^a	4	2
R^2b	0.95	0.86
q^2LOO^c	0.70	0.76
q^2LMO^d	0.68	0.74
VDW contrib.^e	77%	73%
Ele. contrib.^f	23%	27%

^aNumber of PCs in the final model. ^bCoefficient of determination. ^cLOO cross-validation performance. ^dLMO cross-validation performance. ^{e, f}Contribution of VDW and electrostatic factors to bioactivity, respectively.