W. L. Jorgensen (2004). The many roles of computation in drug discovery. Science 303:
1813–1818.
G. M. Keseru (2003). Structure/function/SAR and molecular design. Mol. Divers. 7 :1.
L. B. Kier, L. H. Hall (1976). Molecular Connectivity in Structure–Activity Studies.Letchworth:
Research Studies Press.
G. L. Kirschner, B. R. Kowalski (1978). The application of pattern recognition to drug design. In:
E. J. Ariëns (Ed.). Drug Design, vol. 9. New York: Academic Press, pp. 73–131.
G. Klopman, R. Contreras (1985). Use of artificial intelligence in structure–activity relationships
of anticonvulsant drugs. Mol. Pharmacol. 27: 86–93.
C. M. Krejsa, D. Horvath, S. L. Rogalski, J. E. Penzotti, B. Mao, F. Barbosa, J. C. Migeon (2003).
Predicting ADME properties and side effects: the BioPrint approach. Curr. Op. Drug Discov.
Develop. 6: 470–480.
H. Kubinyi (1979). Lipophilicity and drug activity. In: E. Jacket (Ed.).Drug Research, vol. 23.
Basel: Birkhäuser, pp. 97–198.
C. A. Lipinski (1986). Bioisosterism in drug design. Annu.Rep. Med. Chem. 21: 283–291.
P. P. Mager (1980). The MASCA model of pharmacochemistry, I. Multi-variate statistics. In:
E. J. Ariëns (Ed.). Drug Design, vol. 9. New York: Academic Press, pp. 187–236.
G. R. Marshall (1987). Computer-aided drug design. Annu. Rev. Pharmacol. Toxicol. 27:
193–213.
E. F. Meyer, Jr (1980). Interactive graphics in medicinal chemistry. In: E. J. Ariëns (Ed.).Drug
Design, vol. 9. New York: Academic Press, pp. 267–289.
W. M. Pardridge (1985). Strategies for delivery of drugs through the blood–brain barrier. Annu.
Rep. Med. Chem. 20: 305–313.
R. Perkins, H. Fang, W. Tong, W. J. Welsh (2003). Quantitative structure–activity relationship
methods: perspectives on drug discovery and toxicology. Environ. Toxicol. Chem. 22 :
1666–1679.
M. J. Poznansky, R. L. Juliano (1984). Biological approaches to the controlled delivery of drugs:
a critical review. Pharmacol. Rev. 36: 277–336.
A. K. Rappe, C. J. Casewit (1996). Molecular Mechanics Across Chemistry. Sausalito: University
Science Books.
J. N. Simpkins, J. McCormack, K. S. Estes, M. E. Brewster, E. Sheck, N. Bodor (1986).
Sustained brain-specific delivery of estradiol causes long-term suppression of luteinizing
hormone secretion. J. Med. Chem. 29: 1809–1812.
A. A. Sinkula (1975). Prodrug approach in drug design. Annu. Rep. Med. Chem. 10: 306–316.
J. G. Topliss (Ed.) (1983). Quantitative Structure–Activity Relationships in Drugs. New York:
Academic Press.
J. G. Topliss, J. Y. Fukunaga (1978). QSAR in drug design. Annu. Rep. Med. Chem. 13: 292–303.
J. G. Topliss, Y. C. Martin (1975). Utilization of operational schemes for analog synthesis
in drug design. In: E. J. Ariëns (Ed.).Drug Design, vol. 5.New York: Academic Press,
pp. 1–21.
F. Torrens (2003). Structural, chemical topological, electrotopological and electronic structure
hypotheses.Comb. Chem. HTS 6: 801–809.
J. Vaya, S. Tamir (2004). The relation between the chemical structure of flavonoids and their
estrogen-like activities. Curr. Med. Chem. 11: 1333–1343.
D. A. Winkler (2003). The role of quantitative structure–activity relationships (QSAR) in bio-
molecular discovery. Brief. Bioinf. 3 : 73–86.
A. Xie, C. Liao, Z. Li, Z. Ning, W. Hu, X. Lu, L. Shi, J. Zhou (2004). Quantitative
structure–activity relationship study of histone deacetylase inhibitors. Curr. Med. Chem.:
Anti-Cancer Agents 4: 273–299.
DESIGNING DRUG MOLECULES TO FIT RECEPTORS 165