Modelling the relation between the structure and physicochemical properties of organic compounds on the basis of optimal atomic parameters

New method for establishing the quantitative structure-property relationships of organic compounds represented as weighted molecular graphs is suggested. It is based on the selection of optimal weights of vertices of these graphs. Examples of application of this method are given.

Bibliographic Details
Main Authors: Ya. Ya. Yakovenko, M. I. Skvortsova, N. A. Mikhailova
Format: Article
Language:Russian
Published: MIREA - Russian Technological University 2012-12-01
Series:Тонкие химические технологии
Subjects:
Online Access:https://www.finechem-mirea.ru/jour/article/view/685