Chemical Structure–Biological Activity Relationships: by F. Darvas

By F. Darvas

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Read Online or Download Chemical Structure–Biological Activity Relationships: Quantitative Approaches. Proceedings of the 3rd Congress of the Hungarian Pharmacological Society, Budapest, 1979 PDF

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Additional info for Chemical Structure–Biological Activity Relationships: Quantitative Approaches. Proceedings of the 3rd Congress of the Hungarian Pharmacological Society, Budapest, 1979

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Vihko (1977), Contraception 16, 51. J. de Visser, E. P. de Jongh, J. d. J. Zeelen (1975), Acta Endocrinol. (Copenhagen) Suppl. 199, 405. U. D. B. Harding (1978), J. Health 4, 229. J. A. Keverling Buisman editor, Elsevier, Amsterdam, 147-160. , 1970). CH3COOCH2CH 2N+(CH ) 3 3 This classical model has been found to be successful in understanding of the general features of cholinesterase specificity and was used in design of new physiologically active compounds that react with these enzymes. Attempts have been made to estimate the contribution of the anionic site in cholinesterase catalysis by simple comparison of the kinetic data for ionic compounds and their non-ionic structural analogs (Adams & Whittaker, 1950; Bergmann, 1955; Heath, 1961; Kabachnik & Godovikov, 1971).

Holbein, J. McDonald, R,Reed, H. G. Petering: J. Med, Chem. 19 131 (1976) (8) G. M. Everett, R. K. Richards: J. Pharmacol. exptl. Ther. 81 402 (1944) (9) F. Darvas, B. Bord~s, M. Tiiske and Magda KovUcs: Magy, Kem. Lar. 33 627 (1978) (10) G. Swinyard: J. Pharmacol. exp. Ther. 106 319 (1952) (11) R. Benzinger, D. Hane: Arch. Int. Pharmacodyn. 167 245 (1967) (12) J. Borst', M. Cs~nyi, I. L~z iir: Arch. Int. Pharmacodyn, 124 1 (1960) (13) C. K. Nielsen, M. P. Magnussen, E. Kampmann, and H. H. Frey: Arch.

Darvas1, Julia Röhricht 2 , Z. Budai3 and B. Bord~s4 1 = Institute for Coordination of Computer Techniques, Budapest, Hungary 2 = G. Richter Ltd. , Budapest, Hungary 3 = EGYT Pharmacochemical Works, Budapest, Hungary 4 = Research Institute for Plant Protection, Budapest, Hungary Introduction According to a survey, more than 1,000 papers have been published in the QSAR field in the last 15 years (1). About 3,000 equations referring to at least 5,000 compounds have been presented. Considering the amount of papers dealing with QSAR studies the number of discussions concerning real prediction results is quite low.

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