Computation of bond incident degree (BID) indices of complex structures in drugs

Jia Bao Liu, Abdul Qudair Baig, Muhammad Imran, Waqas Khalid, Muhammad Saeed, Mohammad Reza Farahani

Research output: Contribution to journalArticlepeer-review

7 Citations (Scopus)

Abstract

The molecular topological descriptors are the numerical invariants of a molecular graph and are very useful and efficient to predict their bioactivity. Dendrimers are highly branched organic macro-molecules with successive layers or generations of branch units surrounding a central core and have many applications in biology, medicine and drug designs. These are key molecules in nanotechnology and can be put to good use. A great variety of such indices are studied and used in theoretical chemistry and pharmaceutical researchers. Among them, a large number of indices depend only on vertex degrees of the molecular graph. A considerable amount of these vertex-degree-based topological indices can be represented as the sum of edge contributions of graph. These kind of vertex-degree-based topological indices are known as bond incident degree (BID) indices. In this paper, we determine the bond incident degree indices of complex structures in drugs called nanostar dendrimers and compute the closed formula for these indices.

Original languageEnglish
Pages (from-to)672-679
Number of pages8
JournalEurasian Chemical Communications
Volume2
Issue number6
DOIs
Publication statusPublished - Jun 2020

Keywords

  • Molecular structure descriptor
  • bond incident degree index
  • drug
  • nanostar dendrimers

ASJC Scopus subject areas

  • Analytical Chemistry
  • Chemistry (miscellaneous)
  • Electrochemistry
  • Physical and Theoretical Chemistry

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