Testing the quality of molecular structure descriptors. Vertex-degree-based topological indices

Journal of the Serbian Chemical Society

关键词: topological index;    molecular structure descriptor;    vertex-degree-based topological index;    molecular graph;    chemical graph theory;   

DOI  :  10.2298/JSC121002134G

来源: DOAJ

【 摘 要 】

The correlation ability of 20 vertex-degree-based topological indices,occurring in the chemical literature, is tested for the case of standardheats of formation and normal boiling points of octane isomers. It is foundthat the correlation ability of many of these indices is either rather weakor nil. The augmented Zagreb index and the atom-bond connectivity index yieldthe best results. [Projekat Ministarstva nauke Republike Srbije, br. 174033]

【 授权许可】

Unknown