On Topological Indices and QSPR Analysis of Drugs Used for the Treatment of Breast Cancer

Bokhary S. A. U. H., Adnan A., Siddiqui M. K., Cancan M.

POLYCYCLIC AROMATIC COMPOUNDS, vol.42, no.9, pp.6233-6253, 2022 (SCI-Expanded) identifier identifier

  • Publication Type: Article / Article
  • Volume: 42 Issue: 9
  • Publication Date: 2022
  • Doi Number: 10.1080/10406638.2021.1977353
  • Journal Name: POLYCYCLIC AROMATIC COMPOUNDS
  • Journal Indexes: Science Citation Index Expanded (SCI-EXPANDED), Scopus, Academic Search Premier, Aerospace Database, Applied Science & Technology Source, CAB Abstracts, Chemical Abstracts Core, Communication Abstracts, Food Science & Technology Abstracts, Metadex, Pollution Abstracts, Veterinary Science Database, Civil Engineering Abstracts
  • Page Numbers: pp.6233-6253
  • Keywords: Degree based topological indices, regression model and QSPR analysis, DESCRIPTORS
  • Van Yüzüncü Yıl University Affiliated: Yes

Abstract

A topological index of graph G is a numerical quantity which describes its topology. If it is applied to molecular structure of a chemical compounds then it reflects the theoretical properties of the chemical compounds. In this article, well-known degree based topological indices are applied on chemical structures of medicine used for treatment of breast cancer. Chemical structure is considered as graph, where elements are taken as vertices and bounds between them are taken as edges. Further, QSPR analysis of said topological indices are discussed and it is shown that these topological indices are highly correlated with the physical properties of chemical compounds used for the treatment of breast cancer.