On knowledge discovery and representations of molecular structures using topological indices

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

Identyfikatory

DOI

10.2478/jaiscr-2021-0002

• Języki publikacji: EN

Abstrakty

EN

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.

Słowa kluczowe

EN

graph network; sheet; topological index; cheminformatics; knowledge discovery

• Wydawca: University of Social Sciences
• Czasopismo: Journal of Artificial Intelligence and Soft Computing Research
• Rocznik: 2021
• Tom: Vol. 11, No. 1
• Strony: 21--32
• Opis fizyczny: Biblioigr. 24 poz., rys.

Twórcy

autor

Alsaadi Fawaz E.

• Department of Information Technology, Faculty of Computing and Information Technology, King Abdulaziz University, Jeddah21589, Saudi Arabia

autor

Bokhary Syed Ahtsham Ul Haq

• Centre of Advanced Studies in Pure and applied Mathematics, Bahauddin Zakariya University, Multan, Pakistan

autor

Shah Aqsa

• Centre of Advanced Studies in Pure and applied Mathematics, Bahauddin Zakariya University, Multan, Pakistan

autor

Ali Usman

• Centre of Advanced Studies in Pure and applied Mathematics, Bahauddin Zakariya University, Multan, Pakistan

autor

Cao Jinde

• School of Mathematics, Southeast University, Nanjing 210096, China

autor

Alassafi Madini Obad

• Department of Information Technology, Faculty of Computing and Information Technology, King Abdulaziz University, Jeddah21589, Saudi Arabia

autor

Rehman Masood Ur

• Department of Mathematics, Abbottabad University of Science and Technology, Abbottabad, 22500, Pakistan

autor

Rahman Jamshaid Ul

• School of Mathematical Science, University of Science and Technology of China, Hefei 230026, Anhui, P.R. China

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Uwagi

Opracowanie rekordu ze środków MNiSW, umowa Nr 461252 w ramach programu "Społeczna odpowiedzialność nauki" - moduł: Popularyzacja nauki i promocja sportu (2021).