Prediction of molecular volume and surface of alkanes by molecular topology

Journal of Chemical Information and Computer Sciences

Volumn 43, Issue 4, 2003, Pages 1231-1239

  Galvez, Jorge ^a  

^a UNIVERSITY OF VALENCIA   (Spain)

Author keywords

[No Author keywords available]

Indexed keywords

MOLECULAR VOLUMES;

ALGORITHMS; GRAPH THEORY; MATRIX ALGEBRA; SURFACE CHEMISTRY;

PARAFFINS;

EID: 0042199080     PISSN: 00952338     EISSN: None     Source Type: Journal    
DOI: 10.1021/ci034036x     Document Type: Article

References (25)

1. Sylvester, J. J. Am. J. Math. 1874, 1, 64.
2. Sylvester, J. J. Am. J. Math. 1878, 1, 65.
3. Wiener, H. J. Am. Soc. 1947, 69
4. Balaban, A. T.; Motoc, L.; Bonchev, D.; Mekenyan, O. Top. Curr. Chem. 1983, 114, 21-25.
5. Randić, M. J. Am. Chem. Soc. 1975, 97, 6609.
6. Kier, L. B.; Hall, L. H.; Murray, W. J.; Randić, M. J. Pharm. Sci. 1975, 64, 1971.
7. Bonchev, D.; Trinajstic, N. Intern. J. Quantum Chem. Symp. 1978, 12, 293-303.
8. Basak, S. C.; Gute, B. D.; Grunwald, G. D. J. Chem. Inf. Comput. Sci. 1996, 36, 1054-1060.
9. Pogliani, L. J. Phys. Chem. 1993, 97, 9029.
10. Galvez, J.; Garcia, R.; Julian-Ortiz, J. V. de; Soler, R. Topological approach to drug design. J. Chem. Inf. Comput. Sci. 1995, 35, 272-284.
11. Galvez, J.; Garcia-Domenech, R.; De Gregorio, C.; De Julian-Ortiz, J. V.; Popa, L. J. Mol. Graphics 1996, 14, 272-276.
12. García-Domenech, R.; García-March, F. J.; Soler, R.; Gálvez, J.; Antón-Fos, G. M.; de Julián-Ortiz, J. V. Quant. Struct.-Act. Relat. 1996, 15, 201-207.
13. Julian-Ortiz, J. V. de; Galvez, J.; Muñoz-Collado, C.; Garcia-Domenech, R.; Jimeno-Cardona, C. J. Med. Chem. 1999, 42, 3308-3314.
14. Stankevich, I. V.; Skovortsova, M. I.; Zefirov, N. S. J. Mol. Struct. (THEOCHEM) 1995, 342, 173-179.
15. Gálvez, J. J. Mol. Struct. (THEOCHEM) 1998, 429, 255.
16. Kier, L. B.; Hall, L. H. J. Chem. Inf. Comput. Sci. 2000, 40, 792.
17. Estrada, E. J. Phys. Chem. A. 2002, 106, 9085.
18. Kier, L. B.; Hall, L. H. Molecular Connectivity in Structure-Activity Analysis; Research Studies Press; Letchworth, England, 1986; pp 225-246.
19. Kier, L. B.; Hall, L. H. J. Pharm. Sci. 1976, 65, 1806
20. Estrada, E. J. Chem. Inf. Comput. Sci. 1995, 35, 1022.
21. Amic, D.; Beslo, D.; Lucic, B.; Nilolic, S.; Trinajstic, N. J. Chem. Inf. Comput. Sci. 1998, 38, 819.
22. Bondi, A. J. Phys. Chem. 1964, 68, 441
23. Kier, L. B.; Hall, L. H. J. Pharm. Sci. 1983, 72, 1170.
24. Kier, L. B.; Hall, L. H. Molecular Connectivity in Chemistry and Drug Reasearch; Academic Press; New York, 1976; p 221.
25. Rubio, E. Determinación de algunas propiedades fisicoquímicas de grupos heterogéneos de moléculas orgánicas por el método de conectividad molecular. Degree Thesis. University of Valencia, 1986; p 193. (Note: This reference is at the reader's disposal under request).