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On knowledge discovery and representations of molecular structures using topological indices

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

Journal of Artificial Intelligence and Soft Computing Research

2021

Vol. 11, No. 1

21--32

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.