Table 11 Statistical parameters and regression models for SC(G).

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

Property

Model

Equation

R

\(R^2\)

SE

F

p-value

BP

Linear

\(y = 301.4839 + 21.5562(TI)\)

0.934

0.872

19.321

102.152

0.000

Cubic

\(y = 433.5580 -3.8640(TI) + 1.4454(TI)^2 -0.0248(TI)^3\)

0.935

0.875

80.065

30.224

0.000

EV

Linear

\(y = 51.8055 + 2.9613(TI)\)

0.903

0.815

3.303

65.948

0.000

Cubic

\(y = 81.0224 -1.6466(TI) + 0.2006(TI)^2 -0.0025(TI)^3\)

0.915

0.837

12.991

22.182

0.000

FP

Linear

\(y = 132.9067 + 13.3218(TI)\)

0.941

0.886

11.186

116.394

0.000

Cubic

\(y = 101.1455 + 18.7153(TI) -0.2632(TI)^2 + 0.0038(TI)^3\)

0.942

0.887

46.658

33.922

0.000

MR

Linear

\(y = -0.3303 + 7.2842(TI)\)

0.991

0.981

2.364

779.329

0.000

Cubic

\(y = -3.8063 + 7.0588(TI) + 0.0669(TI)^2 -0.0020(TI)^3\)

0.991

0.983

9.410

249.576

0.000

SA

Linear

\(y = 17.6272 + 6.4778(TI)\)

0.788

0.621

11.825

24.626

0.000

Cubic

\(y = 192.9365 -22.0773(TI) + 1.3102(TI)^2 -0.0175(TI)^3\)

0.852

0.726

42.144

11.469

0.001

MV

Linear

\(y = -5.4505 + 20.4320(TI)\)

0.977

0.955

10.382

317.822

0.000

Cubic

\(y = 52.7214 + 7.3029(TI) + 0.8633(TI)^2 -0.0167(TI)^3\)

0.978

0.956

42.893

94.442

0.000

P

Linear

\(y = 0.3909 + 2.8599(TI)\)

0.989

0.978

1.003

667.601

0.000

Cubic

\(y = -7.8689 + 4.1387(TI) -0.0539(TI)^2 + 0.0006(TI)^3\)

0.990

0.981

3.954

218.013

0.000