Reverse Degree-Based Topological Indices and QSPR Analysis of Cancer Drugs

TL;DR

This paper computes reverse degree-based topological indices for three cancer drugs and demonstrates their strong correlation with physical properties, aiding property prediction without extensive experiments.

Contribution

It introduces the calculation of reverse degree-based topological indices for specific cancer drugs and links these indices to their physical properties through QSPR analysis.

Findings

High correlation between topological indices and physical properties

Potential for predicting drug properties computationally

Application to cancer drug analysis

Abstract

A topological index of a graph $G$ is a numerical quantity that describes its topology. Reverse degree-based topological indices play an important role in finding topological descriptors. Azacitidine, Decitabine, and Guadecitabine are hypomethylating agents which are used for the treatment of patients with higher-risk myelodysplastic syndromes, acute myeloid leukemia, and chronic myelomonocytic leukemia which are not suitable for in-depth treatments such as induction chemotherapy. In this article, some reverse degree-based topological indices of the three said drugs are computed. Furthermore, QSPR analysis of the said topological indices is discussed and it is shown that these topological indices are highly correlated with the physical properties of the three cancer drugs. These findings may help chemists and people working in the pharmaceutical industry to predict the properties of cancer drugs without experimenting.