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Table 5 Example of probabilistic transformations on the non-stochastic two-tuple total spatial-(dis)similarity matrix for k = 1, \(_{{\varvec{ns}}} {\mathbb{G}}^{1}\), computed from 3D coordinates of the Chloro(methoxy)methane compound (see Table 1A) by using the Euclidean metric

From: Examining the predictive accuracy of the novel 3D N-linear algebraic molecular codifications on benchmark datasets

 

C1

C2

O3

Cl4

C1

C2

O3

Cl4

 

Non-stochastic matrix, \(_{ns} {\mathbb{G}}^{1}\)

Simple-stochastic matrix, \(_{ss} {\mathbb{G}}^{1}\)

C1

0.000

2.408

1.439

3.939

0.000

0.309

0.185

0.506

C2

2.408

0.000

1.438

1.757

0.430

0.000

0.257

0.314

O3

1.439

1.438

0.000

2.598

0.263

0.263

0.000

0.475

Cl4

3.939

1.757

2.598

0.000

0.475

0.212

0.313

0.000

 

Double-stochastic matrix, \(_{ds} {\mathbb{G}}^{1}\)

Mutual probability matrix, \(_{mp} {\mathbb{G}}^{1}\)

C1

0.000

0.387

0.246

0.368

0.000

0.089

0.053

0.145

C2

0.387

0.000

0.368

0.246

0.089

0.000

0.053

0.065

O3

0.246

0.368

0.000

0.387

0.053

0.053

0.000

0.096

Cl4

0.368

0.246

0.387

0.000

0.145

0.065

0.096

0.000