Study on QSPR of unstaturated hydrocarbons
Meng Fan · Jisuanji yu yingyong huaxue · 2004
The paper calculates J and S_j~(max)indices of unstaturated hydrocarbons such as alkenes,alkynes and alkyl benzenes,and stud-ies correlativity and selectivity with topological indices and the physico-chemical properties of unsaturated hydrocarbons.Regression an-alyses gives a general empirical equation P_1=A_1N~a+A_2J~b+A_3(S_j~max)~c+A_0,the calculated results shows that correlativity and selec-tivity of the given empirical equation is better than that of references 7,8 and 9.