Comprehensive descriptors for structural and statistical analysis. 1: Correlations between structure and physical properties of substituted pyridines

Revue Roumaine de Chimie

Volumn 41, Issue 11-12, 1996, Pages 851-867

  Katritzky, Alan R ^a   Lobanov, Victor S ^b   Karelson, Mati ^b   Murugan, Ramiah ^c   Grendze, Martin P ^c   Toomey Jr , Joseph E ^c  

^a UNIVERSITY OF FLORIDA   (United States)

^b UNIVERSITY OF TARTU   (Estonia)

^c Reilly Industries Incorporated   (United States)

Author keywords

[No Author keywords available]

Indexed keywords

EID: 0001514390     PISSN: 00353930     EISSN: None     Source Type: Journal    
DOI: None     Document Type: Article

References (54)

1. A.R. Katritzky, V. Lobanov and M. Karelson, "Comprehensive Descriptors for Structural and Statistical Analysis, Version 1.1, Reference Manual", Universitiy of Florida, 1994.
2. D.T. Stanton, P.C. Jurs and M.G. Hicks, J. Chem. Inf. Comput. Sci., 1991, 31, 301-310.
3. D.T. Stanton, L.M. Egolf, P.C. Jurs and M.G. Hicks, J. Chem. Inf. Comput. Sci., 1992, 32, 306-316.
4. L.M. Egolf and P.C. Jurs, J. Chem. Inf. Comput. Sci., 1993, 33, 616-625.
5. P. Simamora, A.H. Miller and S.H. Yalkowsky, J. Chem. Inf. Comput. Sci., 1993, 33, 437-440.
6. A.T. Balaban, N. Joshi, L.B. Kier and L.H. Hall, J. Chem. Inf. Comput. Sci., 1992, 32, 233-237.
7. A.T. Balaban, L.B. Kier and N. Joshi, J. Chem. Inf. Comput. Sci., 1992, 32, 237-244.
8. W.J. Lyman, W.F. Reehl and D.H. Rosenblatt, "Handbook of Chemical Property Estimation Methods", McGraw-Hill: New York, 1982.
9. K.G. Joback and R.C. Reid, Chem. Eng. Commun., 1987, 57, 233-243.
10. J. Bermejo, C.G. Blanco and M.D. Guillén, J. Chromatogr., 1985, 331, 237-243.
11. a) R.D. Cramer III, J. Am. Chem. Soc., 1980, 102, 1837-1849.
12. b) R.D. Cramer III, J. Am. Chem. Soc., 1980, 102, 1849-1859.
13. D.T. Stanton and P.C. Jurs, Anal. Chem., 1990, 62, 2323-2329.
14. D.E. Needham, I.-C. Wei and P.C. Seybold, J. Am. Chem. Soc., 1988, 110, 4186-4194.
15. T. Suzuki, K. Ohtaguchi and K.A. Koide, J. Chem. Eng. Jpn., 1991, 24, 258-261.
16. A.J. Leo, Chem. Rev., 1993, 93, 1281-1306.
17. A.K. Ghose, A. Pritchett and G.M. Crippen, J. Comput. Chem., 1988, 9, 80-90.
18. G. Klopman and S.A. Wang, J. Comput. Chem., 1991, 12, 1025-1032.
19. N. Bodor and M.J. Huang, J. Comput. Chem., 1991, 12, 1182-1186.
20. M.St. J. Warne, D.W. Connell, D.W. Hawker and G. Schüürmann, Chemosphere, 1990, 21, 877-888.
21. D.T. Stanton and P.C. Jurs, Anal. Chem., 1989, 61, 1328-1332.
22. E.K. Whalen-Pedersen and P.C. Jurs, Anal. Chem., 1981, 53, 2184-2187.
23. R.H. Rohrbaugh and P.C. Jurs, Anal. Chem., 1986, 58, 1210-1212.
24. R.H. Rohrbaugh and P.C. Jurs, Anal. Chem., 1988, 60, 2249-2253.
25. S. Mihara and H. Masudam, J Chromatogr., 1987, 402, 309.
26. K.D. Bartle, M.L. Lee and S.A. Wise, Chromatographia, 1981, 14, 69-72.
27. P.J. Doherty, R.M. Hoes, A. Robbat Jr. and C.M. White, Anal. Chem., 1984, 56, 2697-2701.
28. A. Robbat Jr., G. Xyrafas and D. Marshall, Anal. Chem., 1988, 60, 982-985.
29. L. Buydens, D.L. Massart and P. Geerlings, Anal. Chem., 1983, 55, 738-744.
30. K. Osmialowski, J. Halkiewicz, A. Radecki and R. Kaliszan, J. Chromatogr., 1985, 346, 53-60.
31. K. Osmialowski, J. Halkiewicz and R. Kaliszan, J. Chromatogr., 1986, 361, 63-69.
32. A.R. Katritzki, E.S. Ignatchenko, R.A. Barcock, V.S. Lobanov and M. Karelson, Anal. Chem., 1994, 66, 1799-1807.
33. R. Murugan, M.P. Grendze, J.E. Toomey Jr., A.R. Katritzky, M. Karelson, V.S. Lobanov and P. Rachwal, CHEMTECH., 1994, 24, 17-23.
34. S.J. Lewis, M.S. Mirrlees and P.J. Taylor, Quant. Struct.-Act. Relat., 1983, 2, 100-111.
35. J.J.P. Stewart, MOPAC Program Package 6.o, QCPE, No. 455., 1990.
36. M.J.S. Dewar, E.G. Zoebisch, E.F. Healy and J.J.P.J. Stewart, J. Am. Chem. Soc., 1985, 107, 3902-3909.
37. N.S. Zefirov, M.A. Kirpichenok, F.F. Izmailov and M.I. Trofimov, Doklady Akademii Nauk USSR, 1987, 296, 883-887.
38. J. Gasteiner and M. Marsili, Tetrahedron, 1980, 36, 3219-3228.
39. H.J. Wiener, J. Am. Chem. Soc., 1947, 69, 17-20.
40. M. Randic, J. Am. Chem. Soc., 1975, 97, 6609-6615.
41. L.B. Kier and L.H. Hall, "Molecular Connectivity in Chemistry and Drug Research", Academic Press: New York, 1976.
42. L.B. Kier and L.H. Hall, "Molecular Connectivity in Structure-Activity Analysis", Research Studies Press: Letchworth, 1986.
43. S.C. Basak and V.R.A. Magnuson, Arzneim.-Forsch./Drug Res., 1983, 33, 501-503.
44. M.I. Stankevich, I.V. Stankevich and N.S. Zefirov, Russian Chem. Rev., 1988, 57, 191-208.
45. R.H. Rohrbaugh and P.C. Jurs, Anal. Chim. Acta, 1987, 199, 99-109.
46. T.R. Stouch and P.C. Jurs, J. Chem. Inf. Comput. Sci., 1986, 26, 4-12.
47. R.S. Pearlman in "Physical Chemical Properties of Drugs", Ed.: S.H. Yalkowsky, A.A. Sinkula and S.C. Valvani, Marcel Dekker Inc., New York, 1980, pp. 321-347.
48. A. Cartier and J.L. Rivail, Chemon. Intell. Lab. Syst., 1987, 1, 335-347.
49. O. Kikuchi, Quant. Struct.-Act. Relat., 1987, 6, 179-184.
50. K. Fukui, "Theory of Orientation and Stereoselection", Springer-Verlag: Berlin, 1975.
51. C.J.F. Böttcher and P. Bordewijk, "Theory of Electric Polarization", vol. 2, 2nd ed., Elsevier Co; Amsterdam, 1978.
52. P. Geladi and B.R. Kowalski, Anal Chim. Acta, 1986, 185, 1-17.
53. K. Satyanarayna and P.G. Rao, J. Hazard. Mater., 1992, 32, 81-85.
54. J.E. Premecz and M.E. Ford, J. Chromatogr., 1987, 388, 23-35.