Table 13 Regression analysis for entropies of TIs based on best predictors.

From: Applications of Sombor topological indices and entropy measures for QSPR modeling of anticancer drugs: a Python-based methodology

Property\(\sim \mathcal {I}_{TI}\)

Models

Regression Equations

\(R^{2}\)

RMSE

F-test

p-value

SE

MPE

MAE

BP\(\sim \mathcal {I}_{ESO}\)

Linear

\(-359.745 +295.132(\mathcal {I}_{ESO})\)

0.829

50.627

82.16

\(6.40\times 10^{-8}\)

11.615

\(-\)0.008

42.083

Quadratic

\(248.307 -108.530(\mathcal {I}_{ESO}) +65.798(\mathcal {I}_{ESO})^2\)

0.836

49.528

40.759

\(5.25\times 10^{-7}\)

11.362

\(-\)0.009

41.275

Cubic

\(-3718.492 +3947.831(\mathcal {I}_{ESO}) -1297.071(\mathcal {I}_{ESO})^2 +150.648(\mathcal {I}_{ESO})^3\)

0.839

49.028

26.098

\(3.34\times 10^{-6}\)

11.248

\(-\)0.009

40.708

MR\(\sim \mathcal {I}_{BSO_1}\)

Linear

\(-166.030 +81.553(\mathcal {I}_{BSO_1})\)

0.912

9.412

291.868

\(2.42\times 10^{-16}\)

1.718

\(-\)0.002

7.729

Quadratic

\(246.893 -183.330(\mathcal {I}_{BSO_1}) +41.797(\mathcal {I}_{BSO_1})^2\)

0.959

6.435

316.406

\(1.82\times 10^{-19}\)

1.175

\(-\)0.004

4.696

Cubic

\(545.895 -476.522(\mathcal {I}_{BSO_1}) +136.343(\mathcal {I}_{BSO_1})^2 -10.040(\mathcal {I}_{BSO_1})^3\)

0.96

6.397

205.674

\(3.17\times 10^{-18}\)

1.168

\(-\)0.004

4.755

HAC\(\sim \mathcal {I}_{BSO_1}\)

Linear

\(-43.942 +21.698(\mathcal {I}_{BSO_1})\)

0.944

1.974

469.631

\(4.89\times 10^{-19}\)

0.36

0.003

1.533

HAC\(\sim \mathcal {I}_{ESO}\)

Quadratic

\(65.787 -48.751(\mathcal {I}_{ESO}) +11.148(\mathcal {I}_{ESO})^2\)

0.991

0.796

1462.179

\(3.01\times 10^{-28}\)

0.145

\(-\)0.001

0.663

Cubic

\(-2.910 +19.355(\mathcal {I}_{ESO}) -11.033(\mathcal {I}_{ESO})^2 +2.377(\mathcal {I}_{ESO})^3\)

0.991

0.777

986.073

\(6.95\times 10^{-27}\)

0.142

\(-\)0.001

0.623

EM\(\sim \mathcal {I}_{BSO_1}\)

Linear

\(-492.960 +267.074(\mathcal {I}_{BSO_1})\)

0.879

37.007

202.463

\(2.42\times 10^{-14}\)

6.756

\(-\)0.004

31.053

EM \(\sim \mathcal {I}_{mRSO}\)

Quadratic

\(1371.757 -931.093(\mathcal {I}_{mRSO}) +189.373(\mathcal {I}_{mRSO})^2\)

0.961

21.01

331.244

\(1.01\times 10^{-19}\)

3.836

\(-\)0.003

17.492

Cubic

\(914.052 -479.734(\mathcal {I}_{mRSO}) +43.112(\mathcal {I}_{mRSO})^2 +15.597(\mathcal {I}_{mRSO})^3\)

0.961

20.981

213.252

\(2.02\times 10^{-18}\)

3.831

\(-\)0.003

17.404

FP\(\sim \mathcal {I}_{BSO_2}\)

Linear

\(-275.920 +181.563(\mathcal {I}_{BSO_2})\)

0.839

29.753

88.799

\(3.67\times 10^{-8}\)

6.826

\(-\)0.012

24.407

FP\(\sim \mathcal {I}_{ESO}\)

Quadratic

\(92.301 -59.096(\mathcal {I}_{ESO}) +39.021(\mathcal {I}_{ESO})^2\)

0.846

29.114

43.996

\(3.14\times 10^{-7}\)

6.679

\(-\)0.013

23.833

Cubic

\(-1950.495 +2029.823(\mathcal {I}_{ESO}) -662.821(\mathcal {I}_{ESO})^2 +77.580(\mathcal {I}_{ESO})^3\)

0.849

28.889

28.006

\(2.15\times 10^{-6}\)

6.628

\(-\)0.012

23.374

P\(\sim \mathcal {I}_{BSO_1}\)

Linear

\(-65.790 +32.319(\mathcal {I}_{BSO_1})\)

0.912

3.738

290.547

\(2.56\times 10^{-16}\)

0.683

\(-\)0.002

3.07

Quadratic

\(98.047 -72.780(\mathcal {I}_{BSO_1})+16.584(\mathcal {I}_{BSO_1})^2\)

0.959

2.559

314.253

\(1.99\times 10^{-19}\)

0.467

\(-\)0.004

1.866

Cubic

\(220.946 -193.290(\mathcal {I}_{BSO_1})+55.445(\mathcal {I}_{BSO_1})^2 -4.127(\mathcal {I}_{BSO_1})^3\)

0.959

2.543

204.45

\(3.41\times 10^{-18}\)

0.464

\(-\)0.004

1.89