<abstract xmlns="http://www.w3.org/1999/xhtml">The main purpose of a topological index is to encode a chemical structure by a number. A topological index is a graph invariant, which decribes the topology of the graph and remains constant under a graph automorphism. Topological indices play a wide role in the study of QSAR (quantitative structure-activity relationship) and QSPR (quantitative structure-property relationship). Topological indices are implemented to judge the bioactivity of chemical compounds. In this article, we compute the <italic>ABC</italic> (atom-bond connectivity); <italic>ABC</italic>4 (fourth version of <italic>ABC</italic>), <italic>GA</italic> (geometric arithmetic) and <italic>GA</italic>5 (fifth version of <italic>GA</italic>) indices of some networks sheet. These networks include: octonano window sheet; equilateral triangular tetra sheet; rectangular sheet; and rectangular tetra sheet networks.</abstract>

The main purpose of a topological index is to encode a chemical structure by a number. A topological index is a graph invariant, which decribes the topology of the graph and remains constant under a graph automorphism. Topological indices play a wide role in the study of QSAR (quantitative structure-activity relationship) and QSPR (quantitative structure-property relationship). Topological indices are implemented to judge the bioactivity of chemical compounds. In this article, we compute the ABC (atom-bond connectivity); ABC4 (fourth version of ABC), GA (geometric arithmetic) and GA5 (fifth version of GA) indices of some networks sheet. These networks include: octonano window sheet; equilateral triangular tetra sheet; rectangular sheet; and rectangular tetra sheet networks.

On Knowledge Discovery and Representations of Molecular Structures Using Topological Indices

Department of Information Technology, Faculty of Computing and Information Technology

Centre of Advanced Studies in Pure and applied Mathematics

Abbottabad University of Science and Technology

University of Science and Technology of China

Journal of Artificial Intelligence and Soft Computing Research

This work is licensed under the Creative Commons Attribution-NonCommercial-NoDerivatives 4.0 International License.

The main purpose of a topological index is to encode a chemical structure by a number. A topological index is a graph invariant, which decribes the topology of...

On Knowledge Discovery and Representations of Molecular Structures Using Topological Indices

Publié en ligne: 03 déc. 2020

Pages: 21 - 32

Reçu: 11 mars 2020

Accepté: 25 août 2020

DOI: https://doi.org/10.2478/jaiscr-2021-0002

Mots clés
graph network, sheet, topological index, cheminformatics, knowledge discovery

© 2021 Fawaz E. Alsaadi1 et al., published by Sciendo

This work is licensed under the Creative Commons Attribution-NonCommercial-NoDerivatives 4.0 International License.

On Knowledge Discovery and Representations of Molecular Structures Using Topological Indices

Publié en ligne: 03 déc. 2020

Pages: 21 - 32

Reçu: 11 mars 2020

Accepté: 25 août 2020

DOI: https://doi.org/10.2478/jaiscr-2021-0002

Mots clésgraph network, sheet, topological index, cheminformatics, knowledge discovery

© 2021 Fawaz E. Alsaadi1 et al., published by Sciendo

This work is licensed under the Creative Commons Attribution-NonCommercial-NoDerivatives 4.0 International License.

Mots clés
graph network, sheet, topological index, cheminformatics, knowledge discovery