Quantitative structure activity studies

Moriguchi, I. Quantitative structure-activity studies I. Parameters relating to hydrophobicity. Chem. Pharm. Bull. 1975, 23, 1A7-1S7. 

Fujita, T Nishioka, T., Nakajima, M. Hydrogen-bonding parameter and its significance in quantitative structure-activity studies. /. Med. Chem. 1977, 20, 1071-1081. 

Scherrer, R. A., The treatment of ionizable compounds in quantitative structure-activity studies with special consideration of ion partitioning, in Magee, P. S. Kohn, G. K. Menn, J. J. (eds.), Pesticide Syntheses through Rational Approaches, ACS Symposium Series 225, ACS (American Chemical Society), Washington, DC, 1984, pp. 225-246. 

Laughlin, R.B., Jr. 1987. Quantitative structure-activity studies of di- and triorganotin compounds. Pages 198-206 in K.L.E. Kaiser (ed.). QSAR in Environmental Toxicology — II. D. Reidel Publ., Dordrecht, The Netherlands. 

Doherty, J.D., K. Nishimura, N. Kurihara, and T. Fujita. 1986. Quantitative structure-activity studies of substituted benzyl chrysanthemates. 9. Calcium uptake inhibition in crayfish nerve cord and lobster axon homogenates in vitro by synthetic pyrethroids. Pestic. Biochem. Physiol. 25 295-305. 

The Treatment of lonizable Compounds in Quantitative Structure-Activity Studies with Special Consideration to Ion Partitioning... 

Sotomatsu, T., Nakagawa, N., Fujita, T. (1987) Quantitative structure-activity studies of benzoylphenylurea larvicides. IV. Benzoyl ortho substituent effects and molecular conformation. Pestic. Biochem. Physiol. 27, 156-164. 

Mundy, R.L., Bowman, M.C., Fanner, J.H., Haley, T.J. (1978) Quantitative structure-activity study of a series of substituted 0,0-dimethyl 0-(p-nitrophenyl) phosphorothionates and O-analogues. Arch. Toxicol. 41, 111-123. 

S. N. Mohammad, A. J. Hopfinger, and D. R. Bickers, ]. Theor. Biol., 102, 323 (1983). Intrinsic Mutagenicity of Polycyclic Aromatic Hydrocarbons A Quantitative Structure-Activity Study Based on Molecular Shape Analysis. 

Wu, J.-A. Ji, R.-Y. A quantitative structure-activity study on artemisinin analogs. 

Dunn III, W.J. (1977). Molar Refractivity as an Independent Variable in Quantitative Structure-Activity Studies. EurJ.Med.Chem., 12,109-112. 

Fujita, T, Nishioka, T. and Nakajima, M. (1977). Hydrogen-Bonding Parameter and Its Significance in Quantitative Structure-Activity Studies. J.Med.Chem.,20,1071-1081. 

Kireev, D.B., Chr6tien, J.R. and Raevsky, O.A. (1995). Molecular Modeling and Quantitative Structure-Activity Studies of Anti HIV-1 2-Heteroarylquinoline-4-Amines. Eur.J.Med.Chem., 30, 395 02. 

Lewis, D.R and Parke, D.V. (1995b). The Genotoxicity of Benzanthracenes A Quantitative Structure-Activity Study. Mut.Res., 328, 207-214. 

Moriguchi, I. (1975). Quantitative Structure-Activity Studies. I. Parameters Relating to Hydro-phobicity. Chem.Pharm.Bull., 23, 247-257. 

Moriguchi, I. and Kanada, Y. (1977). Quantitative Structure-Activity Studies. Part III. Use of van der Waals Volume in Structure-Activity Studies. Chem.Pharm.Butl., 25, 926-935. 

Polanski, J., Gasteiger, J., Wagener, M. and Sadowski, J. (1998). The Comparison of Molecular Surfaces by Neural Networks and its Applications to Quantitative Structure Activity Studies. QuanlStruct.-AcuRelat., 17, 27-36. 

Sabljic, A. and Protic-Sabljic, M. (1983). Quantitative Structure-Activity Study on the Mechanism of Inhibition of Microsomal p-Hydroxylation of Aniline by Alcohols. Mol.Pharm., 23,... 

Venger BH, Hansch C, Hatheway GJ, Amrein YU. Ames test of l-(X-phenyl)-3,3-dialkyltriazenes A quantitative structure-activity study. J Med Chem 1979 22(5) 473-6. 

Lewis DF, Parke DV. The genotoxicity of benzanthracenes A quantitative structure-activity study. Mutat Res 1995 328 207-14. 

Hahn, M., Rogers, D. Receptor surface models. 2. Apphcation to quantitative structure-activity studies. J. Med, Chem, 1995, 38, 2091-2102. 

Leeson, P.D., Ellis, D., Emmett, J.C., Shah, V.P., Showell. G.A., and Underwood, A.H., Thyroid hormone analogues. Synthesis of 3 -substituted 3,5-diiodo-L-thyronines and quantitative structure-activity studies of in vivo thyromimetic activities in rat liver and heart, J. Med. Chem., 31, 37, 1988. 

In order to optimise the in vitro profile, we focused our attention on the nature of the substituent at N-1 and a quantitative structure-activity study was performed on a series of N-1 alkyl derivatives. After selection of variables, the affinity for the CCK-B receptor was related to the calculated values of both lipophilicity [26] and molar refractivity [27] of the substituent and the following equation was derived using PLS analysis implemented in program GOLPE [28] (all parameters are referred to the substituents at N-1) ... 

Drmn, W.J. Ill (1977) Molar refractivity as an independent variable in quantitative structure-activity studies. Eur. J. Med. Chem., 12, 109-112. 

Moriguchi, 1. (1975) Quantitative structure—activity studies. 1. Parameters relating to hydrophobidty. Chem. Pharm. Bull., 23, 247—257. 

As yet there are few quantitative structure-activity studies for the Ca + channel antagonists. However, qualitative indices of structure-function dependence are available, particularly for the 1,4-dihydropryidines of the nifedipine class where, because of the comparative ease of synthesis (43), a large number of analogs are available. 

In the drug discovery area, the MCSS algorithm has been used for the perception of common structural features for quantitative structure-activity studies [74-76], and for studies on effective components in Chinese medicines as suggested by Wang and... 

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