Implementation of multi-criteria decision making for the ranking of drugs used to treat bone-cancer

Abstract

The concept of "topological index" refers to a numerical value determined by the structure of a chemical network. It serves to determine the physicochemical and biological properties of diverse medications, offering a more precise depiction of the theoretical properties of organic materials, this is achieved through the utilization of degree-based topological indices. Because of the development of resistance to existing treatments and the unpleasant side effects associated with some current drugs, the hunt for new drugs remains a priority. In drug discovery, QSPR approaches are widely used to predict, from a chemical structure, the biological activity of potential novel drugs. Researchers can prioritize compounds for synthesis and optimize them to improve potency, preference, and other desired attributes by establishing a correlation between chemical features and biological activity. Rational drug design approaches incorporate research methodologies such as quantitative structure-activity relationships (QSAR) and quantitative structure-property relationships (QSPR), along with decision-making strategies. The goal of these strategies is to improve the biological activity and physicochemical qualities of existing leads. This research includes mathematical modeling of drug mechanisms utilizing multiple-criteria decision analysis and QSPR analysis. Furthermore, using decision-making techniques, I can determine the order of production for various drugs used to treat bone cancer based on their examination using QSPR analysis and topological indices.

Keywords

• topological indices
• qspr
• chemical graphs