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  • 标题:On Knowledge Discovery and Representations of Molecular Structures Using Topological Indices
  • 本地全文:下载
  • 作者:Fawaz E. Alsaadi ; Syed Ahtsham Ul Haq Bokhary ; Aqsa Shah
  • 期刊名称:Journal of Artificial Intelligence and Soft Computing Research
  • 电子版ISSN:2083-2567
  • 出版年度:2021
  • 卷号:11
  • 期号:1
  • 页码:21-32
  • DOI:10.2478/jaiscr-2021-0002
  • 出版社:Walter de Gruyter GmbH
  • 摘要: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.
  • 关键词:graph network ; sheet ; topological index ; cheminformatics ; knowledge discovery
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