title: A graph-theoretical approach to the prediction of physical properties of alkanes based on the distance matrix.
abstract: A new topological index, the largest eigenvalue of the distance matrix (DI), is presented as a measure of molecular branching. The DI and Balaban's J index are used to predict the densities of a series of alkanes. The statistical correlations obtained are excellent and give a correlation coefficient of 0.961.
authors: Reproduction and Growth Physiology, Upjohn Company, Kalamazoo, Michigan 49001.
authors: J F
authors: JF
authors: Caputo
authors: K J
authors: KJ
authors: Cook
mesh_terms: D000473:Alkanes / Q000032:analysis*; D055598:Chemical Phenomena; D002627:Chemistry, Physical; D008956:Models, Chemical; D012044:Regression Analysis
chemical_list: D000473:Alkanes