Tytuł pozycji:
On knowledge discovery and representations of molecular structures using topological indices
- Tytuł:
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On knowledge discovery and representations of molecular structures using topological indices
- Autorzy:
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Alsaadi, Fawaz E.
Bokhary, Syed Ahtsham Ul Haq
Shah, Aqsa
Ali, Usman
Cao, Jinde
Alassafi, Madini Obad
Rehman, Masood Ur
Rahman, Jamshaid Ul
- Tematy:
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graph network
sheet
topological index
cheminformatics
knowledge discovery
- Data publikacji:
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2021
- Wydawca:
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Społeczna Akademia Nauk w Łodzi. Polskie Towarzystwo Sieci Neuronowych
- Język:
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angielski
- Prawa:
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CC BY-NC-ND: Creative Commons Uznanie autorstwa - Użycie niekomercyjne - Bez utworów zależnych 3.0 PL
- Źródło:
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Journal of Artificial Intelligence and Soft Computing Research; 2021, 11, 1; 21-32
2083-2567
2449-6499
- Dostawca treści:
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Biblioteka Nauki
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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.