On reducing correlations between topological indices

Croatica Chemica Acta

Volumn 78, Issue 4, 2005, Pages 489-492

  Hollas, Boris ^a   Gutman, Ivan ^b   Trinajstić, Nenad ^c  

^a UNIVERSITY OF ULM   (Germany)

^b UNIVERSITY OF KRAGUJEVAC   (Serbia)

^c RUDER BO KOVI INSTITUTE   (Croatia)

Author keywords

Connectivity index; Platt number; QSAR; QSPR; Topological index; Zagreb index

Indexed keywords

EID: 32244442190     PISSN: 00111643     EISSN: 1334417X     Source Type: Journal    
DOI: None     Document Type: Article

References (31)

1. D. H. Rouvray, in: D. Bonchev and D. H. Rouvray (Eds.), Chemical Graph Theory - Introduction and Fundamentals, Gordon & Breach, New York, 1990, pp. 22-39.
2. A. T. Balaban and O. Ivanciuc, in: J. Devillers and A. T. Balaban (Eds.), Topological Indices and Related Descriptors in QSAR and QSPR, Gordon & Breach, Amsterdam, 1999, pp. 21-57.
3. H. Hosoya, Bull, Chem. Soc. Jpn. 44 (1971) 2332-2339.
4. A. T. Balaban, I. Motoc, D. Bonchev, and O. Mekenyan, Topics Curr. Chem. 114 (1983) 21-55.
5. R. Todeschini and V. Consonni, Handbook of Molecular Descriptors, Wiley-VCH, Weinheim, 2000.
6. I. Motoc, A. T. Balaban, O. Mekenyan, and D. Bonchev, MATCH-Commun. Math. Comput. Chem. 13 (1982) 369-404.
7. K. Kovaočvić, D. Plavšaić, N. Trinajstić, and D. Horvat, Stud. Phys. Theor. Chem. 63 (1989) 213-224.
8. D. Horvat, A. Graovac, D. Plavšić, N. Trinajstić, and M. Strunje, Int. J. Quantum Chem.: Quantum Chem. Symp. 26 (1992) 401-408.
9. S. C. Basak, B. D. Gute, and A. T. Balaban, Croat. Chem. Acta 77 (2004) 331-344.
10. A. Kerber, R. Laue, M. Meringer, and C. Rücker, MATCH-Commun. Math. Comput. Chem. 51 (2004) 187-204.
11. B. Hollas, MATCH-Commun. Math. Comput. Chem. 45 (2002) 27-33.
12. B. Hollas, J. Math. Chem. 33 (2003) 91-101.
13. B. Hollas, MATCH-Commun. Math. Comput. Chem. 47 (2003) 79-86.
14. B. Hollas, MATCH-Commun. Math. Comput. Chem. 54 (2005) 341-350.
15. For details on statistical concepts encountered in this paper (expectation value, variance, covariance, correlation coefficient) see appropriate textbooks, e.g., B. L. Van der Werden, Mathematical Statistics, Springer-Verlag, Berlin, 1969;
16. J. Czerminski, A. Iwasiewicz, and Z. Paszek, Statistical Methods in Applied Chemistry, Elsevier, Amsterdam, 1990.
17. M. Randić, New J. Chem. 15 (1991) 517-525.
18. M. Randić, J. Chem. Inf. Comput. Sci. 31 (1991) 311-320.
19. B. Lučić, S. Nikolić, N. Trinajstić, and D. Juretić, J. Chem. Inf. Comput. Sci. 35 (1995) 532-538.
20. M. Šoškić, D. Plavšić, and N. Trinajstić, J. Chem. Inf. Comput. Sci. 36 (1996) 829-832.
21. O. Araujo and D. A. Morales, Chem. Phys. Lett. 257 (1996) 393-396.
22. O. Araujo and D. A. Morales, J. Chem. Inf. Comput. Sci. 38 (1998) 1031-1037.
23. J. A. Platt, J. Chem. Phys. 15 (1947) 419-420.
24. M. Randić, J. Am. Chem. Soc. 97 (1975) 6609-6615.
25. M. Randić, J. Mol. Graphics Modell. 20 (2001) 19-35.
26. I. Gutman and N. Trinajstić, Chem. Phys. Lett. 17 (1972) 535-537.
27. I. Gutman, B. Ruščić, N. Trinajstić, and C. F. Wilcox, J. Chem. Phys. 62 (1975) 535-538.
28. S. Nikolić, G. Kovačević, A. Miliočvić , and N. Trinajstić, Croat. Chem. Acta 76 (2003) 113-124.
29. K. C. Das and I. Gutman, MATCH-Commun. Math. Comput. Chem. 52 (2004) 103-112.
30. D. Vukičević and N. Trinajstić, Croat. Chem. Acta 76 (2003) 183-187.
31. National Cancer Institute, Connection Tables for 127000 Structures: ftp://helix.nih.gov/ncidata/2D/nciopen.mol.Z.