Topological Descriptors and QSPR Models of Drugs used in Blood Cancer

Abstract

In this article, we used M-polynomials to investigate the rela-tionships between topological indices and physicochemical properties of some blood cancer treatment drugs; we used the curvilinear regression method on drugs like azacitidine, buslfan, and mercaptopurine, among others. This article also includes M-polynomial proofs of the closed form of some topological indices of said drugs. The study could be a new at-tempt to improve QSPR model prediction analysis by utilizing the afore-mentioned molecular descriptors, which are used to investigate chemical, medical, and pharmacological properties. Finally, this work demonstrates that topological descriptors can be a cornerstone to designing and synthe-size new blood cancer treatments and other disease drugs.