Skip to main content

Advertisement

Table 4 Summary of the statistics quantitative property–larvicidal activity relationship models for activity against fourth instar of Cx. quinquefasciatus

From: In vitro and in silico studies of terpenes, terpenoids and related compounds with larvicidal and pupaecidal activity against Culex quinquefasciatus Say (Diptera: Culicidae)

Statistical parameter IV instar
Model 1 Model 2 Model 3 Model 4 Model 5 Model 6
n 50 50 47 47 39 39
Q2 0.759 0.630 0.761 0.751 0.840 0.818
R2 0.829 0.812 0.880 0.880 0.929 0.917
F 20.9 20.2 24.1 23.8 34.3 29.6
s 0.293 0.297 0.022 0.021 0.151 0.162
  1. n, number of systems evaluated; Q2, the square of the coefficient of cross-validation; R2, the square of the correlation coefficient; s, standard deviation; F, Fisher statistic; WC, without contribution; J, Balaban-like index; MlogP, Moriguchi octanol–water partition coeff. (logP); TIE, E-state topological parameter; AMR, Ghose–Crippen molar refractivity; Qtot, total absolute charge; BAC, Balaban centric index; Hy, hydrophilic factor; η, chemical hardness; E HOMO , energy of the HOMO orbital; m, dipole moment
Descriptors Contributions
Model 1 Model 2 Model 3 Model 4 Model 5 Model 6
J − 2.3271 − 1.6812 WC WC − 0.0638 WC
MlogP 0.3632 0.3222 WC WC 1.5415 1.1347
TIE 0.0843 0.0929 0.16824 0.1684 0.2377 0.0467
AMR 0.0441 WC WC WC WC WC
Qtot WC WC 0.4735 0.5324 WC WC
BAC WC − 0.0535 WC WC WC WC
Hy WC WC − 0.7359 − 0.4735 WC WC
ƞ WC WC 0.3068 WC WC WC
m WC WC WC 0.0927 0.5698 0.6654
E HOMO WC WC WC WC 0.2377 0.2486
Intercept − 0.3266 − 0.3421 − 2.3992 − 2.3891 7.8613 4.817
  1. n, number of systems evaluated; Q2, the square of the coefficient of cross-validation; R2, the square of the correlation coefficient; s, standard deviation; F, Fisher statistic; WC, without contribution; J, Balaban-like index; MlogP, Moriguchi octanol–water partition coeff. (logP); TIE, E-state topological parameter; AMR, Ghose–Crippen molar refractivity; Qtot, total absolute charge; BAC, Balaban centric index; Hy, hydrophilic factor; η, chemical hardness; E HOMO , energy of the HOMO orbital; m, dipole moment