Graph dissection revisited. Application to smaller alikanes

Acta Chimica Slovenica

Volumn 47, Issue 4, 2000, Pages 489-506

  Randić, Milan ^a,b   Guo, Xiaofeng ^a,c   Calkins, Paula ^a  

^a DRAKE UNIVERSITY   (United States)

^b NATIONAL INSTITUTE OF CHEMISTRY   (Slovenia)

^c XINJIANG UNIVERSITY   (China)

Author keywords

[No Author keywords available]

Indexed keywords

EID: 0034340048     PISSN: 13180207     EISSN: None     Source Type: Journal    
DOI: None     Document Type: Article

References (50)

1. M. Randić, On characterization of the shape of molecular graphs, J. Chem. Inf. Comput. Sci., (submitted)
2. M. Randić, Novel shape descriptors for molecular graphs (to be published)
3. M. Randić, The first graph theoretical descriptor of chirality, J. Chem. Inf. Comput. Sci., (submitted)
4. 3* for QSAR, J. Chem. Inf. Comput. Sci., (submitted)
5. M. Randić, On dissection of acyclic graphs, MATCH, 1979, 5, 135-148.
6. M. Randić and W. L. Woodworth, Characterization of acyclic graphs by successive dissection, MATCH, 1982, 13, 291-313.
7. S. M. Ulam, A Collection of Mathematical Problems, Wiley, New York (1960).
8. J. A. Bondy and R. L. Hemminger, Graph reconstruction - a survey, J. Graph Theory, 1977, 3, 227.
9. R. C. Read and D. G. Corneil, The graph isomorphism disease, J. Graph Theory, 1977, 1, 339-363.
10. G. Gati, Further annotated bibliography on the isomorphism disease, J. Graph Theory, 1979, 3, 95-109.
11. A. A. Oliferenko, V. A. Palyulin and N. S. Zefirov, The graph isomorphism disease: Twenty years after (Preprint)
12. M. Randić, On molecular identification numbers, J. Chem. Inf. Comput. Sci.,1984, 24, 164-175.
13. M. Randić, Molecular ID numbers: By design, J. Chem. Inf. Comput. Sci., 1986, 64, 134-136.
14. K. Szymanski, W. R. Müller, J. V. Knop and N. Trinajstić, Molecular ID numbers; Croat. Chem. Acta, 1986, 59, 719-723:
15. C.-Y. Hu and L. Xu, Developing molecular identification numbers by an all-path method, J. Chem. Inf. Comput. Sci., 1997, 37, 311-315.
16. C.-Y. Hu and L. Xu, On highly discriminating topological index, J. Chem. Inf. Comput. Sci., 1996, 36, 82-90.
17. M. Randić, Design of molecules with desired properties. Molecular similarity approach to property optimization, in: Concepts and Applications of Molecular Similarity, (M. A. Johnson and G. Maggiora, Eds.), Wiley, New York (1990), pp. 77-145.
18. M. Randić, Similarity methods of interest in chemistry, in: Mathematical Methods in Contemporary Chemistry (I. S. Kuchanov, Ed.), Gordon and Breach Publ. Inc, (1995), pp. 1-100.
19. M. Randić, On characterization of molecular branching, J. Am. Chem. Soc., 1975, 97, 6609-6615.
20. D. Bonchev and N. Trinajstić, Information theory, distance matrix and molecular branching, J. Chem. Phys., 1977, 67, 4517-5433.
21. D. Bonchev and N. Trinajstić, On topological characterization of molecular branching, Int. J. Quant. Chem: Quant. Chem. Symp., 1978, 12, 293-303.
22. S. H. Bertz, Branching in graphs and molecules, Discrete Appl. Math., 1988, 19, 65-83.
23. D. H. Rouvray, The challenge of characterizing branching in molecular species, Disc. Appl. Math., 1988, 19, 317-338.
24. D. Bonchev, Topological order in molecules 1. Molecular branching revisited, J. Mol. Struct. (Theochem), 1995, 364, 137-156.
25. M. Randić, On molecular branching, Acta Chim. Slovenica, 1997, 44, 57-77.
26. M. Randić, On structural ordering and branching of acyclic saturated hydrocarbons, J. Math. Chem., (in press)
27. D. Bonchev, O. Mekenyan, and N. Trinajstić, Topological characterization of cyclic structures, Int. J. Quant. Chem., 1980, 17, 845.
28. M. Randić, On characterization of cyclic structures, J. Chem. Inf. Comput. Sci., 1997, 37, 1063-1071.
29. D. Bonchev, A. T. Balaban, X. Liu and D. J. Klein, Molecular cyclicity and centrality of polycyclic graphs. I. Cyclicity based on resistance distances or reciprocal distances, Int. J. Quant. Chem., 1994, 50, 1-20.
30. S. H. Bertz, The first general index of molecular complexity, J. Am. Chem. Soc., 1981, 104, 3599-3601.
31. S. H. Bertz, On the complexity of graphs and molecules, Bull. Math. Biol., 1983, 45, 849-855.
32. M. Randić, On characterization of molecular complexity, Int. J. Quant. Chem. (submitted)
33. M. Randić, On the concept of molecular complexity, Croat. Chem. Acta, (in press)
34. M. Randić and L. M. DeAlba, Dense graphs and sparse matrices, J. Chem. Inf. Comput. Sci., 1997, 37, 1078-1081.
35. M. Randić (work in progress)
36. Xp index, Quant. Struct.-Act. Relat., 1983, 2, 55-59.
37. L. B. Kier, An index of molecular flexibility from kappa shape attributes, Quant. Struct.-Act. Relat., 1989, 8, 218-221.
38. M. Randić, A. F. Kleiner, and L. M. DeAlba, Distance / distance matrices, J. Chem. Inf. Comput. Sci., 1994, 34, 277-286.
39. L. Bytautas, D. J. Klein, M. Randić and T. Pisanski, Foldedness in linear polymers: A difference between graphical and Euclidean distances, DIMACS Series in Discrete Mathematics and Theoretical Computer Science, 2000, 51, 39-61
40. M. Randić and G. Krilov, On characterization of folding of proteins, Int. J. Quant. Chem. 1999, 75, 1017-1026
41. M. Randić and C. L. Wilkins, Graph theoretical basis for ordering of structures, Chem. Phys. Lett., 1979, 63, 332-336.
42. M. Randić and C. L. Wilkins, Graph theoretical ordering of structures as a basis for systematic searches for regularities in molecular data, J. Phys. Chem., 1979, 83, 1525-1540.
43. M. Randić, Chemical structure - What is she? J. Chem. Educ., 1992, 69, 713-718.
44. M. Randić, Comparative regression analysis. Regressions based on a single descriptor, Croat. Chem. Acta, 1993, 66, 289-312.
45. A. T. Balaban, Lowering the intra-and intermolecular degeneracy of topological invariants, Croat. Chem. Acta, 1993, 66, 447-458.
46. H. Wiener, Structural determination of paraffin boiling points, J. Am. Chem. Soc., 1947, 69, 17-20.
47. H. Hosoya, Topological index. A newly proposed quantity characterizing the topological nature of structural isomers of saturated hydrocarbons, Bull. Chem. Soc. Japan. 1971, 44, 2332-2339.
48. M. Randić, Novel molecular descriptor for structure-property studies, Chem. Phys. Lett., 1993, 221, 478-483.
49. M. Randić, X. Guo, T. Oxley, H. Krishnapriyan and L. Naylor, Wiener matrix invariants, J. Chem. Inf. Comput. Sci., 1994, 34, 361-367.
50. A. T. Balaban, Highly discriminating distance-based topological index, Chem. Phys. Lett., 1982, 89, 399-404.