Applications of information theory in chemical graph theory
Elena V. Konstantinova, Vladimir A. Skorobogatov, Maxim V. Vidyuk · INDIAN JOURNAL OF CHEMISTRY- SECTION A · 2003
Information theory has been used in various branches of science. During recent years it is applied extensively in chemical graph theory for describing chemical structures and for providing good correlations between physico-chemical and structural properties. The application of information theory to the problem of characterizing molecular structures is presented in the paper. The information indices based on the distance in a graph are considered with respect to their correlating ability and discriminating power.