Optimal molecular connectivity descriptors for nitrogen-containing molecules

International Journal of Quantum Chemistry

Volumn 70, Issue 6, 1998, Pages 1209-1215

  Randić, Milan ^a   Dobrowolski, Jan Cz ^a,b  

^a DRAKE UNIVERSITY   (United States)

^b NATIONAL MEDICINES INSTITUTE   (Poland)

Author keywords

[No Author keywords available]

Indexed keywords

EID: 3342991497     PISSN: 00207608     EISSN: None     Source Type: Journal    
DOI: 10.1002/(SICI)1097-461X(1998)70:6<1209::AID-QUA10>3.0.CO;2-Y     Document Type: Article

References (26)

1. C. Hansch, Acc. Res., 2, 232 (1969).
2. N. Trinajstić, M. Randić, and D. J. Klein, Acta Pharm Jugosl. 36, 267 (1986).
3. M. Randić and P. Seybold, SAR QSAR Environ. 1, 77 (1993).
4. N. Trinajstić, Chemical Graph Theory, 2nd ed. (CRC Press, Boca Raton, FL, 1992).
5. H. Wiener, J. Am. Chem. Soc. 69, 2636 (1947).
6. H. Hosoya, Bull. Chem. Soc. Jpn. 44, 2332 (1971).
7. M. Randić, J. Am. Chem. Soc. 97, 6609 (1975).
8. L. B. Kier and L. H. Hall, Molecular Connectivity in Chemistry and Drug Design (Academic Press, New York, 1976). L. B. Kier and L. H. Hall, Molecular Connectivity in Structure-Activity Analysis (Research Studies Press, Letchworth, England, 1986).
9. L. B. Kier and L. H. Hall, Molecular Connectivity in Chemistry and Drug Design (Academic Press, New York, 1976). L. B. Kier and L. H. Hall, Molecular Connectivity in Structure-Activity Analysis (Research Studies Press, Letchworth, England, 1986).
10. L. B. Kier and L. H. Hall, J. Pharm. Chem. 65, 806 (1976).
11. L. B. Kier, W. J. Murray, M. Randic, and L. H. Hall, J. Pharm. Sci. 65, 1226 (1976).
12. E. J. Kupchik, Quantum Stuct.-Act. Relat. 8, 98 (1989).
13. M. Randić and S. Basak, J. Chem. Inf. Comput. Sci., in press. M. Randić, New J. Chem. 21, 945 (1997).
14. M. Randić and S. Basak, J. Chem. Inf. Comput. Sci., in press. M. Randić, New J. Chem. 21, 945 (1997).
15. M. Randić, Chemometr. Intel. Lab. Syst. 10, 213 (1991).
16. A. Streitwieser, Jr., Molecular Orbital Theory for Organic Chemists (Wiley, New York, 1961).
17. S. C. Grossman, B. Jerman-Blažič Dzonova, and M. Randić, Intl. J. Quantum Chem. Quantum Biol. Symp. 12, 123 (1986).
18. M. Randić, G. M. Brissey, R. B. Spencer, and C. L. Wilkins, Comput. Chem. 3, 5 (1979). A. J. Stuper, W. E. Brugger, and P. C. Jurs, Computer Assisted Studies of Chemical Structure and Biological Function (Wiley-Interscience, New York, 1979).
19. M. Randić, G. M. Brissey, R. B. Spencer, and C. L. Wilkins, Comput. Chem. 3, 5 (1979). A. J. Stuper, W. E. Brugger, and P. C. Jurs, Computer Assisted Studies of Chemical Structure and Biological Function (Wiley-Interscience, New York, 1979).
20. M. Randić, J. Comput. Chem. 12, 970 (1991).
21. M. Randić, New J. Chem. 15, 517 (1991). M. Randić, J. Chem. Inf. Comput. Sci. 31, 311 (1991). M. Randić, Croat. Chem. Acta 64, 43 (1991). M. Randić, J. Mol. Struct. (Theochem) 233, 45 (1991).
22. M. Randić, New J. Chem. 15, 517 (1991). M. Randić, J. Chem. Inf. Comput. Sci. 31, 311 (1991). M. Randić, Croat. Chem. Acta 64, 43 (1991). M. Randić, J. Mol. Struct. (Theochem) 233, 45 (1991).
23. M. Randić, New J. Chem. 15, 517 (1991). M. Randić, J. Chem. Inf. Comput. Sci. 31, 311 (1991). M. Randić, Croat. Chem. Acta 64, 43 (1991). M. Randić, J. Mol. Struct. (Theochem) 233, 45 (1991).
24. M. Randić, New J. Chem. 15, 517 (1991). M. Randić, J. Chem. Inf. Comput. Sci. 31, 311 (1991). M. Randić, Croat. Chem. Acta 64, 43 (1991). M. Randić, J. Mol. Struct. (Theochem) 233, 45 (1991).
25. M. Randić and N. Trinajstic, J. Mol. Struct. (Theochem) 284, 209 (1993).
26. M. Randić, Croat. Chem. Acta 66, 289 (1993).