Statistical parameter

IV instar


Model 1

Model 2

Model 3

Model 4

Model 5

Model 6


n

50

50

47

47

39

39

Q^{2}

0.759

0.630

0.761

0.751

0.840

0.818

R^{2}

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

 n, number of systems evaluated; Q^{2}, the square of the coefficient of crossvalidation; R^{2}, the square of the correlation coefficient; s, standard deviation; F, Fisher statistic; WC, without contribution; J, Balabanlike index; MlogP, Moriguchi octanol–water partition coeff. (logP); TIE, Estate 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

 n, number of systems evaluated; Q^{2}, the square of the coefficient of crossvalidation; R^{2}, the square of the correlation coefficient; s, standard deviation; F, Fisher statistic; WC, without contribution; J, Balabanlike index; MlogP, Moriguchi octanol–water partition coeff. (logP); TIE, Estate 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