Graph Theory in Chemistry

Frantisek Hrncirik, Properties of Hydrocarbons C1-C8 Determined by Graphic Methods, SNTL, Prague, 1967. 

Yatsimirskii, Use of the Method of Graphs in Chemistry, Naukova Dumka, Kiev, 1971. 

Danail Bonchev, Information Theoretic Indices for Characterization of Chemical Structures, Research Studies Press, Letchworth, UK, 1975. 

Jean U. Thoma, Introduction to Bond Graphs and Their Applications, Pergamon, Elmsford, NY, 1975. 

Lemont B. Kier and Lowell H. Hall, Molecular Connectivity in Chemistry and Drug Research, Academic Press, New York, 1976. 

---

Sci. 1989, 29(3), 227-228. p5] O. Ivanciuc, Coding the constitution -Graph Theory in chemistry, in Handbook of Chemoinfbrmatics, J. Gasteiger (Ed.), Wiley-VCH, Weinheim, 2003, Chapter II, Section 4. pq L. Euler, Soluho Problematis ad Geo-metriam Situs Pertinentis, Commen-tarii Academiae Sdentiarum Imperia-lis Petropolitanae 8,1736, pp. 128-140. p7] A. Beck, M. Bleicher, D. Crowe, Excursion into Mathematics, Worth, 1969. 

Ivanduc, O., Balahan, A. T. Graph theory in chemistry. In The Encyclopedia of Computational Chemistry, Schleyer,... 

In Table 11, we provide a compilation of books in the rapidly expanding field of computer-aided molecular design and also books on QSAR. Finally, Table 12 lists books on the narrow, well-defined topic of graph theory in chemistry. 

Balaban, A.T. (1985a). Applications of Graph Theory in Chemistry. J.Chem.Inf.Comput.Sci., 25, 334-343. 

Reports and Reviews of the Microsymposium Graph Theory in Chemistry Match 1, Hrsg. A.T. Baiaban, A. Dreiding, A. Kerber, O.E. Polansky Mulheim/Ruhr (1975). 

Ivanciuc, O. (2003c) Graph theory in chemistry, in Handbook of Chemoinformatics, Vol. 1 (ed. J. Gasteiger), Wiley-VCH Verlag GmbH, Weinheim, Germany, pp. 103-138. 

Let us explain one of the most efficient applications of graph theory in chemistry. A steady-state kinetic model for intermediate j can be represented by the following equation ... 

A. Graovac, O.E. Polansky, N. Trinajstic, and N. Tyutyulkov, Graph theory in chemistry. II. Graph-theoretical description of heteroconjugated molecules, Z. Naturforsch. 30a... 

R.B. Mallion, N. Trinajstid, and A.J. Schwenk, Graph theory in chemistry. Generalization of Sachs formula, Z. Naturforsch. 29a (1974b) 1481-1484. 

N. Trinajstid, The role of graph theory in chemistry. Reports in Molecular Theory 1 (1990) 185-213. 

Artificial Intelligence in Chemistry Chemical Abstracts Service Information System Graph Theory in Chemistry Nomenclature Automatic Generation and Conversion Quantitative Structure-Activity Relationships in Drug Design Reaction Databases Ring Perception Stereochemistry ... 

Canonical Numbering and Constitutional Symmetry Combinatorial Chemistry De Novo Ligand Design Diversity of Chemical Libraries Graph Theory in Chemistry Symmetry in Chemistry. 

See Canonical Numbering and Constitutional Symmetry and Graph Theory in Chemistry. 

---