Table 6 Statistical parameters and regression models for H(G).

From: Graph theoretic and machine learning approaches in molecular property prediction of bladder cancer therapeutics

Property

Models

Equations

R

\(R^2\)

\(S_E\)

F

\(p\text {-value}\)

BP

Linear

\(y = 295.5007 + 23.8084(TI)\)

0.930

0.864

20.365

95.519

0.000

 

Cubic

\(y = 477.0067 -12.5013(TI) + 2.1391(TI)^2 - 0.0382(TI)^3\)

0.933

0.870

90.127

28.938

0.000

EV

Linear

\(y = 51.1998 + 3.2558(TI)\)

0.895

0.800

3.512

60.063

0.000

Cubic

\(y = 91.0198 -3.7559(TI) + 0.3466(TI)^2 - 0.0049(TI)^3\)

0.912

0.833

14.522

21.555

0.000

FP

Linear

\(y = 129.2131 + 14.7134(TI)\)

0.937

0.878

11.839

107.949

0.000

Cubic

\(y = 121.4072 + 16.5483(TI) - 0.1271(TI)^2 + 0.0026(TI)^3\)

0.937

0.878

53.478

31.194

0.000

MR

Linear

\(y = -3.1138 + 8.0977(TI)\)

0.993

0.985

2.142

999.014

0.000

Cubic

\(y = -8.4237 + 8.6875(TI) - 0.0018(TI)^2 - 0.0006(TI)^3\)

0.993

0.986

9.479

300.899

0.000

SA

Linear

\(y = 17.8465 + 7.0155(TI)\)

0.770

0.592

12.564

21.789

0.000

Cubic

\(y = 216.2223 -28.1336(TI) + 1.7549(TI)^2 - 0.0254(TI)^3\)

0.846

0.716

47.398

10.909

0.001

MV

Linear

\(y = -13.6892 + 22.7438(TI)\)

0.981

0.961

9.834

373.837

0.000

Cubic

\(y = 38.2428 + 10.8705(TI) + 0.8029(TI)^2 - 0.0163(TI)^3\)

0.981

0.962

44.147

109.428

0.000

P

Linear

\(y = -0.7456 + 3.1823(TI)\)

0.992

0.984

0.877

920.280

0.000

Cubic

\(y = -10.0585 + 4.9513(TI) - 0.0977(TI)^2 + 0.0016(TI)^3\)

0.993

0.985

3.791

290.754

0.000