Variable connectivity index as a tool for solving the 'anti-connectivity' problem

Chemical Physics Letters

Volumn 404, Issue 4-6, 2005, Pages 296-299

  Pompe, Matevž ^a  

^a UNIVERSITY OF LJUBLJANA   (Slovenia)

Author keywords

[No Author keywords available]

Indexed keywords

CARBON; DETECTORS; ERROR ANALYSIS; IONIZATION; MOLECULAR DYNAMICS; OXYGEN;

CARBON ATOMS; FLAME IONIZATION DETECTORS (FID); OXYGEN ATOMS; ROOT-MEAN SQUARE ERROR;

CHEMICAL BONDS;

CARBON; ORGANIC COMPOUND;

ARTICLE; CALCULATION; CHEMICAL BOND; CHEMICAL STRUCTURE; COMPARATIVE STUDY; GAS CHROMATOGRAPHY; MATHEMATICAL COMPUTING; MATHEMATICAL MODEL; PROBLEM SOLVING;

EID: 14844286161     PISSN: 00092614     EISSN: None     Source Type: Journal    
DOI: 10.1016/j.cplett.2005.01.025     Document Type: Article

References (34)

1. R. Todeschini, and V. Consonni R. Mannhold H. Kubinyi H. Timmerman The Handbook of Molecular Descriptors, in the Series of Methods and Principles in Medicinal Chemistry vol. 11 2000 Wiley-VCH New York
2. J. Devillers A.T. Balaban Topological Indices and Related Descriptors in QSAR and QSPR 1999 Gordon and Breach The Netherlands
3. A.R. Katritzky, and E.V. Gordeeva J. Chem. Inf. Comput. Sci. 33 1993 835
4. M. Karelson, V.S. Lobanov, and A.R. Katritzky Chem. Rev. 96 1996 1027
5. L.B. Kier, and L.H. Hall Molecular Connectivity in Structure - Activity Analysis 1986 Wiley New York
6. M. Randic J. Am. Chem. Soc. 97 1975 6609
7. A.T. Balaban Chem. Phys. Lett. 89 1982 399
8. O. Ivanciuc, and A.T. Balaban MATCH 30 1994 117
9. I.S. Antipin, N.A. Arslanov, V.A. Palyulin, A.I. Konovalov, and N.S. Zefirov Dokl. Akad. Nauk. SSSR 316 1991 925
10. N.S. Zefirov, and V.A. Palyulin J. Chem. Inf. Comput. Sci. 41 2001 1022
11. M. Randić J. Mol. Graph. Model. 20 2001 19
12. M. Randić Chemometr. Intell. Lab. Syst. 10 1991 213
13. M. Randić J. Comput. Chem. 12 1991 970
14. M. Randić, and J. Cz. Dobrowolski Int. J. Quantum Chem. 70 1998 1209
15. M. Randić New J. Chem. 24 2000 165
16. M. Randić, and M. Pompe SAR QSAR Environ. Res. 10 1999 451
17. M. Randić, and S.C. Basak J. Chem. Inf. Comput. Sci. 40 2000 899
18. M. Randić, D. Plavšić, and N. Lerš Chem. Inf. Comput. Sci. 41 2001 657
19. M. Randić, and M. Pompe J. Chem. Inf. Comput. Sci. 41 2001 575
20. M. Randić, and S.C. Basak J. Chem. Inf. Comput. Sci. 41 2001 614
21. M. Randić, and M. Pompe J. Chem. Inf. Comput. Sci. 41 2001 631
22. D. Liu, and C. Zhong Polym. J. 34 2002 954
23. G. Krenkel, E.A. Castro, and A.A. Toropov J. Mol. Struct.-Theochem. 542 2001 107
24. C. Zhong, J. He, C. Xue, and Y. Li Bioorg. Med. Chem. 12 2004 4009
25. Q.-N. Hu, Y.-Z. Liang, Y.-L. Wang, C.-J. Xu, Z.-D. Zeng, K.-T. Fang, X.-L. Peng, and Y. Hong J. Chem. Inf. Comput. Sci. 43 2003 773
26. Q.-N. Hu, Y.-Z. Liang, X.-L. Peng, H. Yin, and K.-T. Fang J. Chem. Inf. Comput. Sci. 44 2004 437
27. N. Kezele, L. Klasinc, J. von Knop, S. Ivaniš, and S. Nikolić Croat. Chem. Acta 75 2002 651
28. M. Randic, P.J. Hansen, and P.C. Jurs Chem. Inf. Comput. Sci. 28 1988 60
29. B. Lučić, A. Miličević, S. Nikolić, and N. Trinajstić Indian J. Chem. Sect. A 42 2003 1279
30. A. Miličević, and S. Nikolić Croat. Chem. Acta 77 2004 97
31. J.T. Scanlon, and D.E. Willis J. Chrom. Sci. 23 1985 333
32. M. Randić, D. Mills, and S.C. Basak Int. J. Quantum Chem. 80 2000 1199
33. M. Pompe, M. Veber, M. Randić, and A.T. Balaban Molecules 9 2004 1160
34. D.L. Massart Chemometrics: A Textbook, Data Handling in Science and Techology vol. 2 1988 Elsevier Amsterdam