Chemical applications of graph theory. Selected papers from the symposium on graph theory held during the American Chemical Society Fall 1991 Conference

• Published in: Journal of chemical information and computer sciences Vol. 32; no. 1
• Main Authors: Dias, J R, Hall, G G, Elk, S B, Balaban, A T, Mihalic, Z, Nikolic, S, Trinajstic, N, Garbalena, M, Herndon, W C, King, R B, Balasubramanian, K, Schmalz, T G, Klein, D J, Sandleback, B L, Randic, M
• Format: Journal Article
• Language: English
• Published: 01.01.1992
• Subjects: Chemistry; Computerised information retrieval; Computerized information storage and retrieval; Computerized subject indexing; Conferences; Graphs; Information storage and retrieval; Information work; Searching; Structures; Subject indexing
• ISSN: 0095-2338

10 papers were presented at the Symposium on Graph Theory at the American Chemical Society Fall Conference, dealing with applications of graph theory to chemical structure representation in indexing. Studies in deciphering the information content of chemical formulas: a comprehensive study of fluorenes and fluoranthenes, by Jerry Ray Dias; Eigenvalue distributions for the graphs of alternant hydrocarbons, by George G. Hall; Graph theoretical algorithm to canonically name the isomers of the regular polyhedranes, by Seymour B. Elk; Using real numbers as vertex invariants for third-generation topological indexes, by Alexandru T. Balaban; Comparative study of molecular descriptors derived from the distance matrix, by Zlatko Mihalic, Sonja Nikolic and Nenad Trinajstic; Optimum graph-theoretical models for enthalpic properties of alkanes, by Manuel Garbalena and William C. Herndon; Applications of graph theory and topology for the study of aromaticity in inorganic compounds, by R.B. King; Combinations of cluster enumeration, by K. Balasubramanian; Chemical graph-theoretical cluster expansion and diamagnetic susceptibility, by T.G. Schmalz, D.J. Klein and B.L. Sandleback; Representation of molecular graphs by basic graphs, by Milan Randic. 00 N.L.M.