Degree-Based Molecular Descriptors and QSPR Analysis of Breast Cancer Drugs

Abstract

The disease that involves abnormal cell growth and spreads through the surrounding tissues damaging other parts of the body is cancer. Breast cancer is the most common one out of many types. Women are affected by breast cancer either by hormonal changes or genetic changes that occur in DNA. As breast cancer is a life-threatening disease, it is necessary for further studies to gear up in fighting the deadliest disease. In this work, a detailed study is made on the occurrence, symptoms, and the drugs involved in its treatment. For this purpose, the quantitative structure-property relationship (QSPR) analysis is made using 21 drugs used in the treatment of breast cancer. The drugs considered in the study are modelled as molecular graphs using their molecular structures, and 11 topological indices are computed. The QSPR analysis is carried out for these drugs, and conclusions are drawn based on the analysis.