Optimal descriptors based on extended connectivity and codes of cycles: QSPR of hydrocarbons normal boiling points

E.A. CASTRO; A.A. TOROPOV; A.P. TOROPOVA; R.Z. AKHMEROV

Global J. Mol. Sci.

Año: 2007

Abstract: (0, 1)-codes reflected presence / absence of six- and five-members cycles produce considerable improving statistical characteristics of quantitative structure–property relationships between optimal descriptors and normal boiling points of alkanes, alkylbenzenes and polyaromatic hydrocarbons.(0, 1)-codes reflected presence / absence of six- and five-members cycles produce considerable improving statistical characteristics of quantitative structure–property relationships between optimal descriptors and normal boiling points of alkanes, alkylbenzenes and polyaromatic hydrocarbons.