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RECORD NUMBER: 111 OF 265

OLS Field Name OLS Field Data
Main Title Neighborhood Complexities and Symmetry of Chemical Graphs and Their Biological Applications.
Author Roy, A. B. ; Basak, S. C. ; Harriss, D. K. ; Magnuson, V. R. ;
CORP Author Minnesota Univ.-Duluth. Dept. of Chemistry.;Environmental Research Lab.-Duluth, MN.
Year Published 1984
Report Number EPA-R-807566; EPA-600/D-84-065;
Stock Number PB84-168426
Additional Subjects Molecular structure ; Graph theory ; Topology ; Toxicity ; Chemistry ; Structure activity correlations ; Biological processes ; Numerical solution
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NTIS  PB84-168426 Most EPA libraries have a fiche copy filed under the call number shown. Check with individual libraries about paper copy. NTIS 06/23/1988
Collation 10p
Abstract
Quantitative measures of molecular complexity are calculated through the application of information-theoretic formalism on chemical graphs. The vertex set of a chemical graph is partitioned into disjoint subsets on the basis of the equivalence of various orders of closed neighborhoods and the information indices (IC(nu), SIC(nu), CIC(nu), and R(nu)) are calculated. The applications of these indices in structure-activity correlations are discussed.