Structure–efficiency relationship of access group antibiotics via SK chromatic descriptors
Abstract
In graph theory, topological indices play a significant role as numerical descriptors of a graph, helping to summarize the physicochemical properties of a molecular graph. By capturing the molecular structure, they encode various aspects, including connectivity, complexity, molecular branching, and shape. Therefore, these indices are crucial in the initial stages of drug development for identifying potential drugs. In this study, quantitative structure-property relationship (QSPR) models were designed using SK chromatic indices to predict the physicochemical attributes of some access group antibiotics. Linear regression is used to analyze the physicochemical properties and the topological indices.
Fields of Study & Subjects
Computational Drug Discovery Methods
Graph theory and applications
Graph Labeling and Dimension Problems
Publication details
- Journal / source
- Frontiers in Chemistry
- Publisher
- Frontiers Media SA
- Volume
- 14
- Pages
- 1763932–1763932
- Publication date
- 17 February 2026
- Language
- EN