| 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
|
| Holdings |
| Library |
Call Number |
Additional Info |
Location |
Last
Modified |
Checkout
Status |
| NTIS |
PB84-168426 |
Some EPA libraries have a fiche copy filed under the call number shown. |
|
07/26/2022 |
|
| 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. |
