Polycyclic aromatic compounds · 2021 · 83 citations · 19 references
Computational ChemistryChemistryComputational TopologyMedicinal ChemistryChemical CompoundsBioanalysisTopological IndexBiostatisticsMathematical ChemistryDiscrete MathematicsBiophysicsTopological Graph TheoryQspr AnalysisGraph GTopological RepresentationTopological IndicesPharmacologyGraph TheoryNatural SciencesComputational BiologyRational Drug DesignBreast CancerMetric Graph TheoryMedicineDrug DiscoveryDrug Analysis
A topological index of graph G is a numerical quantity which describes its topology. If it is applied to molecular structure of a chemical compounds then it reflects the theoretical properties of the chemical compounds. In this article, well-known degree based topological indices are applied on chemical structures of medicine used for treatment of breast cancer. Chemical structure is considered as graph, where elements are taken as vertices and bounds between them are taken as edges. Further, QSPR analysis of said topological indices are discussed and it is shown that these topological indices are highly correlated with the physical properties of chemical compounds used for the treatment of breast cancer.
19
Characterization of molecular branching
Milan Randić · Journal of the American Chemical Society · 1975 · 3.5K citations
Degree-Based Topological Indices
İvan Gutman · Croatica Chemica Acta · 2013 · 806 citations · Full text
On general sum-connectivity index
Bo Zhou, Nenad Trinajstić · Journal of Mathematical Chemistry · 2009 · 461 citations