Core electron binding energy (CEBE) shifts applied to structure activity relationship (SAR) analysis of neolignans

Journal of the Brazilian Chemical Society

Volumn 13, Issue 6, 2002, Pages 806-810

  Cristina, M ^a   Costa, A ^a   Takahata, Yuji ^a  

^a UNIVERSITY OF CAMPINAS   (Brazil)

Author keywords

Descriptor; HAM 3; Neolignans; PCA; SAR; CEBE

Indexed keywords

NEOLIGNAN;

ANALYTIC METHOD; CONFERENCE PAPER; DRUG EFFECT; LEISHMANIASIS; STRUCTURE ACTIVITY RELATION;

EID: 0036982735     PISSN: 01035053     EISSN: None     Source Type: Journal    
DOI: None     Document Type: Conference Paper

References (12)

1. Linderberg, B.; Svensson, S.; Malmquist, P. A.; Basilier,E.; Gelius U.; Siegbahn, K.; Chem. Phys. Lett., 1976, 40, 175.
2. Takahata, Y.; Chong, D.P.; Bull. Chem. Soc. Jpn., 2000, 73, 2453.
3. Hammett, L. P.; J. Am. Chem. Soc, 1937, 59, 96.
4. Kubinyi, H. In QSAR: Hansch Analysis and Related Approaches; Manhold, R., Krogsgaard-Larsen, Timmermman, T.; eds., VCH: Weinhheim, 1993, vol. 1, p.4.
5. Costa, M.C.A.; Barata, L.E.; Takahata, Y.; J. Mol. Struct. (THEOCHEM), 1995, 340, 185.
6. Costa, M.C.A.; Takahata, Y.; J. Comput. Chem., 1997, 18, 712.
7. Åsbrink, L.; Fridh, C.; Lindholm, E.; Chem. Phys. Lett. 1977, 52: 63; ibid, 1977, 52, 69; ibid, 1977, 52, 72.
8. Åsbrink, L.; Fridh, C.; Lindholm, E.; Chem. Phys. Lett. 1977, 52: 63; ibid, 1977, 52, 69; ibid, 1977, 52, 72.
9. Åsbrink, L.; Fridh, C.; Lindholm, E.; Chem. Phys. Lett. 1977, 52: 63; ibid, 1977, 52, 69; ibid, 1977, 52, 72.
10. Takahata, Y.; J. Mol. Struct. (THEOCHEM) 1987, 150, 309.
11. Beebe, K. R.; Pell, R. J.; Seasholtz, M. B.; Chemometrics: A Practical Guide, John Wiley & Sons, Inc.: New York,1998, pp. 56-182.
12. Vendrame R.; Ferreira, M. M. C.; Collins C. H.; Takahata Y.; J. Mol. Graph. Model. 2002, 20, 345.