Fundamental Aspects of Skin Cancer Drugs via Degree-Based Chemical Bonding Topological Descriptors

Molecules. 2023 Apr 24;28(9):3684. doi: 10.3390/molecules28093684.

Abstract

Due to significant advancements being made in the field of drug design, the use of topological descriptors remains the primary approach. When combined with QSPR models, descriptors illustrate a molecule's chemical properties numerically. Numbers relating to chemical composition topological indices are structures that link chemical composition to physical characteristics. This research concentrates on the analysis of curvilinear regression models and degree-based topological descriptors for thirteen skin cancer drugs. The physicochemical characteristics of the skin cancer drugs are examined while regression models are built for computed index values. An analysis is performed for several significant results based on the acquired data.

Keywords: QSPR model; calculations; chemical bonding; drugs; skin cancer.

MeSH terms

  • Antineoplastic Agents*
  • Humans
  • Quantitative Structure-Activity Relationship
  • Skin Neoplasms* / drug therapy

Substances

  • Antineoplastic Agents

Grants and funding

Princess Nourah bint Abdulrahman University Researchers Supporting Project number (PNURSP2023R192), Princess Nourah bint Abdulrahman University, Riyadh, Saudi Arabia.