Topological indices of novel drugs used in blood cancer treatment and its QSPR modeling

A topological index is a real number obtained from the chemical graph structure. It can predict the physicochemical and biological properties of many anticancer medicines like blood, breast and skin cancer. This can be done through degree-based topological indices. . In this article, the drugs, azacitidine, buslfan, mercaptopurine, tioguanine, nelarabine, etc. which are used in order to cure blood cancer are discussed and the purpose of the QSPR study is to determine the mathematical relation between the properties under investigation (eg, boiling point, flash point etc.) and different descriptors related to molecular structure of the drugs. It is found that topological indices (TIs) applied on said drugs have a good correlation with physicochemical properties in this context.

Automated summary

A topological index is a real number derived from the chemical graph structure and can predict the physicochemical and biological properties of anticancer drugs. This article discusses drugs used to treat blood cancer and reveals a strong correlation between topological indices and the physicochemical properties of these drugs.