Novel Distance-Related Matrix Index and QSPR Research for Thermodynamics of Methyl Halides
YANGHai-lang, WANGZhen-dong, HUANGYun-ping, YangFeng · Acta Scientiarum Naturalium Universitatis Sunyatseni · 2004
A novel topological index WF is defined by the matrices X, W and L as WF = XWL. The topological index WF based on the distance-related matrix of molecular graphs is used to code the structural environ-ment of each atom- type in a molecular graph. Good QSPR models have been obtained for standard formation en-thalpy of methyl halides. The result indicates that the idea of using multiple matrices to define the distance- relatedmatrix topological index is valid.