QSPR Analysis on Bone Marrow Cancer Medications Via Topological Indices and Regression Model
Nilan Nandish · African Journal of Biomedical Research · 2024
A topological index is a number that describes the topology of a network by using a chemical substance's molecular structure to fictitiously acquire its properties. This study examines and analyses the chemical structures of bone marrow cancer medicines using a cordial label-based topological index. Many features of bone marrow treatments, such as polar surface, boiling point, polarizability, enthalpy, molar refractivity, surface tension, Log P, and molar volume, have been statistically analysed. These results indicate a high link with topological indices, indicating the significance of these calculations. There is a direct association between the molecular descriptors and all positive correlation values. The properties of the bone marrow cancer medications calculated using a mathematical approach are superior compared to the experimental values of the bone marrow cancer medications obtained through costly and time consuming laboratory testing. Chemical structure is viewed as a network in which the elements are viewed as vertices and the boundaries between them as edges. Furthermore, the topological indices with and without hydrogen atoms are considered. In addition to observing that molar refractivity and polarizability exhibit the same correlations in the correlation coefficient and R-squared values in both hydrogen atoms and without hydrogen atoms, we also found that incorporating hydrogen atom analysis is more significant. The physical characteristics of chemical compounds used to treat bone marrow cancer are significantly associated with the aforementioned topological indices, as demonstrated by the QSPR analysis of these indices.