On the concept of molecular complexity

Croatica Chemica Acta

Volumn 75, Issue 1, 2002, Pages 107-116

  Randić, Milan ^a,b   Plavšiĉ, Dejan ^c  

^a DRAKE UNIVERSITY   (United States)

^b NATIONAL INSTITUTE OF CHEMISTRY   (Slovenia)

^c RUDER BO KOVI INSTITUTE   (Croatia)

Author keywords

Augmented valence complexity index (AVC); Complexity of graphs; Molecular graphs

Indexed keywords

EID: 0012480214     PISSN: 00111643     EISSN: None     Source Type: Journal    
DOI: None     Document Type: Article

References (35)

1. L. B. Kier and B. Testa, Adv. Drug Res. 26 (1995) 1-43.
2. D. Bonchev and W. A. Seitz, The Concept of Complexity in Chemistry, in: D. H. Rouvray (Ed.), Concepts in Chemistry: Contemporary Challenge, Research Studies Press, Taunton, U. K., 1996, pp. 353-381.
3. S. H. Bertz, J. Am. Chem. Soc. 103 (1981) 3599-3601.
4. S. H. Bertz, J. Am. Chem. Soc. 104 (1982) 5801-5803.
5. S. H. Bertz, Bull. Math. Biol. 45 (1983) 849-855.
6. D. Bonchev and N. Trinajstić, J. Chem. Phys. 67 (1977) 4517-4533.
7. C. E. Shannon, Bell Syst. Tech. J. 27 (1948) 379-423.
8. N. Rashevsky, Bull. Math. Biophys. 17 (1955) 229-235.
9. A. Mowshowitz, Bull. Math. Biophys. 30 (1968) 175-204.
10. D. Bonchev, MATCH 7 (1979) 65-112.
11. D. Bonchev, Information Theoretic Indices for Characterization of Chemical Structures, Research Studies Press, Chichester, 1983.
12. E. Trucco, Bull. Math. Biophys. 18 (1956) 129-135.
13. A. B. Roy, S. C. Basak, D. K. Harris, and V. R. Magnuson, Neighborhood Complexities and Symmetry of Chemical Graphs and Their Biological Activity, in: X. J. R. Avula, R. E. Kalman, A. I. Liapis, and E. Y. Rodin (Eds.), Mathematical Modelling on Science and Technology, Pergamon Press, New York, 1984, pp. 745-750.
14. J. B. Hendrickson, P. Huang, and A. G. Toczko, J. Chem. Inf. Comput. Sci. 27 (1987) 63-67.
15. (a) D. Bonchev and O. E. Polansky, Stud. Phys. Theor. Chem. 51 (1987) 126-158.
16. (b) D. Bonchev, The Problems of Computing Molecular Complexity, in: D. H. Rouvray (Ed.), Computational Chemical Graph Theory, Nova Science Publishers, New York, 1990, pp. 33-63.
17. A. N. Kolmogorov, Probl. Peredachi Inf. 1 (1965) 3-11.
18. M. Randic, G. M. Brissey, R. B. Spencer, and C. L. Wilkins, Comput. Chem. 3 (1979) 5-13.
19. S. Nikolić, I. M. Tolić, N. Trinajstić, and I. Baučić, Croat. Chem. Acta 73 (2000) 909-921.
20. G. Rücker and C. Rücker, J. Chem. Inf. Comput. Sci. 33 (1993) 683-695.
21. G. Rücker and C. Rücker, J. Chem. Inf. Comput. Sci. 41 (2001) 1457-1462.
22. B. Mohar, Stud. Phys. Theor. Chem. 63 (1989) 1-8.
23. E. C. Kirby, R. B. Mallion, and P. Pollak, Mol. Phys. 83 (1994) 599-602.
24. S. Nikolić, N. Trinajstić, A. Jurić, and G. Krilov, Croat. Chem. Acta 69 (1996) 883-897.
25. S. H. Bertz and T. J. Sommer, Chem. Commun. (1997) 2409-2410.
26. D. Bonchev, SAR & QSAR Environ. Res. 7 (1997) 23-43.
27. H. L. Morgan, J. Chem. Doc. 5 (1965) 107-113.
28. M. Randić, J. Chem. Inf. Comput. Sci. 15 (1975) 105-108.
29. M. Razinger, Theor. Chim. Acta 61 (1982) 581-586.
30. M. Razinger, Theor. Chim. Acta 70 (1986) 365-378.
31. G. Rücker and C. Rücker, J. Chem. Inf. Comput. Sci. 31 (1991) 123-126.
32. J. Figueras, J. Chem. Inf. Comput. Sci. 33 (1993) 717-718.
33. C. Rücker and G. Rücker, J. Chem. Inf. Comput. Sci. 34 (1994) 534-538.
34. M. Randić and D. Plavšić, Int. J. Quant. Chem. (submitted)
35. M. V. Diudea, O. Minailiuc, and A. T. Balaban J. Comput. Chem. 12 (1991) 527-535.