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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

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

Æž

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