Study the Behavior of Drug Structures via Chemical Invariants Using TOPSIS and SAW
Salma Kanwal, Yasmeen Farooq, Muhammad Kamran Siddiqui, Nazeran Idrees, Asima Razzaque, Fikre Bogale Petros · Computational and Mathematical Methods in Medicine · 2023
Every year, various experiments emerge in which a strong link between topological chemical structures and their properties is found. These properties are numerous such as melting point, boiling point, and drug toxicity. Topological index is the functional tool to determine these properties. This research paper will analyze some of the molecular drug structures, i.e., hyaluronic acid‐paclitaxel conjugates Gn, anticancer drug SP[n], polyomino chain of n‐cycle Zn, triangular benzenoid Tn, and circumcoronene benzenoid series Hk using multicriteria decision‐making techniques including TOPSIS and SAW. The topological indices used in this research paper include the Randić index for α = 1, −1, 1/2, the augmented Zagreb index and the forgotten topological index.