Table 2.

Statistics of the CoMFA models for trypanocidal (Tbr) and cytotoxic (L6 cells) activities. PC is the number of latent variables (PLS components, PCs) in each model.

Model Statistics	Anti-Tbr, PC = 3	L6 Cytotoxic, PC = 2
R2 ± SDEC	0.995 ± 0.056	0.940 ± 0.111
Q2 ± SDEP	0.83 ± 0.33	0.64 ± 0.28
P2 ± SDEP	0.79 ± 0.51	0.59 ± 0.42
F-ratio	482.639 (4.066)	70.452 (4.256)
Equation of regression trendline	y = 0.621x + 2.206	y = 0.674x + 1.420

R² = non-cross validated coefficient of determination; Q² = coefficient of determination for leave-one-out internal cross-validation; P² = coefficient of determination for test set predictions; F = Fisher value (critical F-values for the 95% probability level are reported in parentheses); SDEC = standard deviation error in calculation; SDEP = standard deviation error in prediction; PC = number of latent variables (partial least squares (PLS) components); x = actual pIC₅₀; y = predicted pIC₅₀.