On the characterization of molecular stereostructure: 1. Cis-trans isomerism

Journal of Chemical Information and Computer Sciences

Volumn 37, Issue 5, 1997, Pages 924-928

  Lekishvili, Giorgi ^a  

^a TBILISI STATE UNIVERSITY   (Georgia)

Author keywords

[No Author keywords available]

Indexed keywords

EID: 0039039760     PISSN: 00952338     EISSN: None     Source Type: Journal    
DOI: 10.1021/ci970441a     Document Type: Article

References (25)

1. Balaban, A. T. From Chemical Graphs to 3D Molecular Modeling. In From Chemical Topology to Three Dimensional Geometry; Balaban, A. T., Ed.; Plenum Press: New York and London, 1996.
2. Stankevich, M. I.; Stankevich, I. V.; Zefirov, N. S. Topologicheskiye Indeksy v Organicheskoi Khimii (Topological Indices in Organic Chemistry). Usp. Khim. 1988, LVII, 3, 337-366 (Russian).
3. Trinajstić, N. Chemical Graph Theory, 2nd revised ed.; CRC: Boca Raton, FL, 1992.
4. Balaban, A. T. Chemical Application of Graph Theory; Academic: London, 1976.
5. Randić, M. The Nature of Chemical Structure. J. Math. Chem. 1990, 4, 157-184.
6. Estrada, E. Edge Adjacency Relationship in Molecular Graphs Containing Heteroatoms: A New Topological Index Related to Molar Volume. J. Chem. Inf. Comput. Sci. 1995, 35, 4, 701-707.
7. Lekishvili, T.; Lekishvili, G.; Alexidze, N. Mathematical Investigation of the Cancerogenic Activity of Some of the Hormones. Bull. Acad. Sci. Georg. 1996 (in press).
8. Harary, F. Graph Theory; Edition-Wesley Publishing Company: CA, 1969. The Russian translation: Teoriya Grafov. Mir: Moscow. 1973; pp 15-179.
9. Harary, F. Graph Theory; Edition-Wesley Publishing Company: CA, 1969. The Russian translation: Teoriya Grafov. Mir: Moscow. 1973; pp 15-179.
10. Caufmann, A. Introduction to the Combinatorics from the Point of View of Applications. Dunod: Paris, 1968.
11. Gverdtsiteli, M.; Gamsiani, G. Organuli Naertebis Chatseris Algebruli Metodi. (Algebraic Method of the Codification of Organical Compounds). TSU Shromebi. 1987, 256, 41-44 (Georgian).
12. Lekishvili, G. Alkenebis Cis-trans Isomeriuli Gardakmnebis Matematikuri Gamokvleva (Mathematical Investigation of Cis Irans Isomeric Transformations of Alkenes). Proc. Acad. Sci. Georg. 1994, 20, 1-4 (Georgian).
13. Balaban, A. T.; Harary, F. Chemical Graphs 5. Enumeration and Proposed Nomenclature of Benzenoid Cata-condensed Polycyclic Aromatic Hydrocarbons. Tetrahedron 1968, 24, 2505-2516.
14. Trach, S. S.; Zefirov, N. S. Principy Simmetrii i Sistemnosti v Khimii (The Principles of Symmetry and Systemity in Chemistry). Stepanov N. F., Ed.; MGU Press: Moscow, 1987; pp 54-86 (Russian).
15. Lekishvili, G. Algebraicheskaya Kharakteristika Stereoisomerov (Algebraical Characterization of Stereoisomers). International Conference on Chemistry; dedicated to 75 Year Anniversary of I. Javakhishvili TSU. Collection of Abstracts; Tbilisi, 1994; p 108.
16. Lekishvili, G. A Parametric Model for Construction of the Topological Indices of Information Type. Bull. Acad. Sci. Georg. In press.
17. Randić, M. On characterization of Molecular Branching. J. Am Chem. Soc. 1975, 69, 6609-6615.
18. Wiener, H. J. Structural Determination of Paraffin Boiling Points. J. Am. Chem. Soc. 1947, 69, 17-20.
19. Randić, M. Jerman-Blazic, B.; Trinajstić, N. Development of 3 Dimensional Molecular Descriptors. Comput. Chem. 1990, 14, 237-246.
20. Estrada, E. Three- Dimensional Molecular Descriptors Based on Electron Charge Density Weighted Graphs. J. Chem Inf. Comput. Sci. 1995, 35, 4, 708-713.
21. Kier, L. B.; Hall, L. B. Molecular Connectivity in Chemistry and Drug Research; Academic Press: New York, 1976.
22. Kireev, V. A. Metody Practicheskikh Raschotov v Termodinamike Khimicheskhikh Reaktsii (Methods of Practical Calculations in Thermodynamics of Chemical Reactions). Moscow, Khimiya, 1975; pp 462-463 (Russian).
23. Randić, M. Linear Combinations of Path Numbers as Molecular Descriptors. New J. Chem. Submitted for publication.
24. Lekishvili, G. On Characterization of Molecular Stereostructure. 2. New 3- Dimensional Distance-Based Indices. Work in progress.
25. Lekishvili, G. On Characterization of Molecular Stereostructure. 3. A New Way for Codification of Molecules. Work in progress.