Abstract:

Quantitative structure-property relationship(QSPR) of analogues system is studied by applying theory of function P-sets theory. The screen optimum structure parameter of material structure are obtained by using dynamic characteristics of function P-sets, and calculate optimal prediction rules function is analyzed using law characteristics of function P-sets. The function of form of regression is introduced into research of P-sets theory. Chromatograph retention index of alkane is predicted, and multiple correlation coefficient reaches 0.999.

Key words: function P-sets; dynamic characteristics;  law characteristics; structure-physical properties; alkane