Litcius/Paper detail

Fundamental Aspects of Skin Cancer Drugs via Degree-Based Chemical Bonding Topological Descriptors

Abdul Rauf Khan, Nadeem Ul Hassan Awan, Muhammad Usman Ghani, Sayed M. Eldin, Hanen Karamti, Ahmed Hussain Jawhari, Yousef E. Mukhrish

2023Molecules39 citationsDOIOpen Access PDF

Abstract

Due to significant advancements being made in the field of drug design, the use of topological descriptors remains the primary approach. When combined with QSPR models, descriptors illustrate a molecule's chemical properties numerically. Numbers relating to chemical composition topological indices are structures that link chemical composition to physical characteristics. This research concentrates on the analysis of curvilinear regression models and degree-based topological descriptors for thirteen skin cancer drugs. The physicochemical characteristics of the skin cancer drugs are examined while regression models are built for computed index values. An analysis is performed for several significant results based on the acquired data.

Topics & Concepts

Quantitative structure–activity relationshipTopological indexMolecular descriptorCurvilinear coordinatesDegree (music)RegressionTopology (electrical circuits)Field (mathematics)MathematicsBiological systemRegression analysisComputer scienceMachine learningPure mathematicsStatisticsBiologyPhysicsGeometryCombinatoricsAcousticsComputational Drug Discovery MethodsGraph theory and applicationsRetinoids in leukemia and cellular processes