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Degree-based topological indices on anticancer drugs with QSPR analysis

M. C. Shanmukha, N. S. Basavarajappa, K.C. Shilpa, A. Usha

2020Heliyon135 citationsDOIOpen Access PDF

Abstract

From last two to three decades, the world is facing the threat of finding treatment for Cancer. This disease is striking almost ten million people every year throughout the world. Anticancer drugs are those which are used to cure malignant disease i.e. Cancer. These anticancer drugs are available in different forms including alkalyting agents, hormones and anti metabolites. Various examinations reveals that, there will be a adjacent relationship between the characteristics of alkanes and the anticancer drugs viz. Boiling point, melting point, enthalpy etc. with their chemical structures. In this proposed work, various topological indices are defined on some anticancer drugs to help the researchers to know the physical characteristics and chemical reaction associated with them. We also discuss the QSPR analysis of thirteen degree based topological indices. Further, we showcase that the characteristics have good correlation with physico-chemical characteristics of anticancer drugs.

Topics & Concepts

Quantitative structure–activity relationshipAnticancer drugDegree (music)Boiling pointDiseaseDrugTopological indexMathematicsComputational biologyMedicineChemistryPharmacologyBiologyComputational chemistryStereochemistryInternal medicinePhysicsOrganic chemistryAcousticsGraph theory and applicationsComputational Drug Discovery MethodsFree Radicals and Antioxidants
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