On Knowledge Discovery and Representations of Molecular Structures Using Topological Indices

Fawaz E. Alsaadi; Syed Ahtsham Ul Haq Bokhary; Aqsa Shah; Usman Ali; Jinde Cao; Madini Obad Alassafi; Masood Ur Rehman; Jamshaid Ul Rahman

doi:10.2478/jaiscr-2021-0002

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On Knowledge Discovery and Representations of Molecular Structures Using Topological Indices

Journal of Artificial Intelligence and Soft Computing Research

Volume 11 (2021): Issue 1 (January 2021)

By: Fawaz E. Alsaadi, Syed Ahtsham Ul Haq Bokhary, Aqsa Shah, Usman Ali, Jinde Cao, Madini Obad Alassafi, Masood Ur Rehman and Jamshaid Ul Rahman

Open Access

|Dec 2020

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.

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Articles in this issue

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

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Language: English

Page range: 21 - 32

Submitted on: Mar 11, 2020

Accepted on: Aug 25, 2020

Published on: Dec 3, 2020

Published by: SAN University

In partnership with: Paradigm Publishing Services

Publication frequency: 4 issues per year

Keywords:

sheet,

Related subjects:

Databases and data mining,

Artificial intelligence

© 2020 Fawaz E. Alsaadi, Syed Ahtsham Ul Haq Bokhary, Aqsa Shah, Usman Ali, Jinde Cao, Madini Obad Alassafi, Masood Ur Rehman, Jamshaid Ul Rahman, published by SAN University
This work is licensed under the Creative Commons Attribution-NonCommercial-NoDerivatives 4.0 License.

Volume 11 (2021): Issue 1 (January 2021)