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 · Journal of Artificial Intelligence and Soft Computing Research · 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); ABC 4 (fourth version of ABC ), GA (geometric arithmetic) and GA 5 (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.