A Set of Novel Molecular Subgraph Index to Characterize Alkanes
Gang Chen · Jisuanji yu yingyong huaxue · 2000
The molecular structure of alkanes is described by anovel molecular subgraph coding method,recently developed in this laboratory.It has been shown that there exist very good quantitative structure property/function relationships (QSPR/QSFR) between the coding and 7 thermodynamical functions and 8 physical properties of alkanes.