Quantative structure-activity relationship

Zimmermann, M., Tresch, A., Maass, A., Hofmann, M. Drilling into a HTS data set of E. coli dihydrofolate reductase. In Proceedings of the 15th European Symposium on Quantative Structure-Activity Relationships 2004, Aki E., Yalcin J. (eds) published by Computer Aided Drug Design Development Society, Turkey,... 

Symposium on Quantative Structure-Activity Relationships, Portoroz-Portorose (Yugoslavia), September 22-26, 1986 edited by D. Hadzi and B. Jerman-Blazic... 

Kubinyi, H. (2002). From narcosis to hyperspace the history of QSAR, Quantative Structure-Activity Relationships, 21, 348-356. 

R. Snyder, R. Sangar, J. Wang, and S. Ekins, Quant. Structure Activity Relationship, 21, 357... 

Johnson, S. R. and Jurs, P. C. (1997) Prediction of acute mammalian toxicity from molecular structure for a diverse set of substituted anilines using regression analysis and computational neural networks. Comput. Assist. Lead Find. Optim., [Eur. Symp. Quant. Structure-Activity Relationships QSAR and Molecular Modeling], 11th, pp. 31 8, Lausanne, Switzerland. 

Snyder R, Sangar R, Wang J, Ekins S. Three dimensional quantitative structure activity relationship for CYP2D6 substrates. Quant Struct Act Relationship 2002 21 357-68. 

Bartlett A, Dearden JC, Sibley PR. Quantitative structure-activity relationships in the prediction of penicillin immunotoxicity. Quant Struct-Act Relat 1995 14 258-63. 

Schaper, K.-J., Zhang, H., Raevsky, 0. A. pH-dependent partitioning of acidic and basic drugs into liposomes - a quantitative structure-activity relationship. Quant. Struct.-Act. Relat. 2001, 20, 45-54. 

Martin, M., F. Sanz, M. Campillo, L. Pardo, J. Perez, and J. Turmo. 1983b. Quantum Chemical Structure Activity Relationships on (3-carbolines as Natural Monoamine Oxidase Inhibitors. Int. J. Quant. Chem. 23, 1643. 

Dunn, W.J., Wold, S., Edlund, U., Hellbeeg, S., and Gasteigee, J. Multivariate structure-activity relationships between data from a battery of biological tests and an ensemble of stmctural descriptors The PLS method. Quant. Struc-Act. Relat. 1984, 3, 31-137. 

Moon, T., Chi, M. H., Kim, D.-H., Yoon, C. N., and Choi, Y.-S. (2000) Quantitative structure-activity relationships (QSAR) study of flavonoid derivatives for inhibition of cytochrome P450 1A2. Quant. Struct.-Act. Relat. 19, 257-263. 

Nanbo, A. and Nanbo, T. (2002) Mechanistic study on N-demethylation catalyzed with P450 by quantitative structure activity relationship using electronic properties of 4-substituted N,N-dimethylaniline. Quant. Struct.-Act. Relat. 21,613-616. 

Jackel, H., Klein, W. (1991) Prediction of mammalian toxicity by quantitative-structure-activity relationships Aliphatic amines and anilines. Quant.-Strut.-Act. Relat. 10, 198-204. 

Hudson BD, Hyde RM, Rahr E et at. (1996) Parameter based methods for compound selection from chemical databases. Quant Struct-Act Relat 15 285-289 Matter H, Schwab W, Barbier D et al. (1999) Quantitative structure-activity relationship of human neutrophil col-lagenase (MMP-8) inhibitors using comparative molecular field and X-ray structure analysis. J Med Chem 42 1908-1920... 

Hansch C (1969) A quantitative approach to biochemical structure-activity relationships. Acc Chem Res 2 232-239 Kubinyi H (2002) From narcosis to hyperspace The history of QSAR. Quant Struct Act Relat 21 348-356 Lemont KB, Lowell H (1999) Molecular Structure Description The Electrotopological State. Academic Press, San Diego, CA, USA... 

Boggia, R., Forina, M., Fossa, P. and Mosti, L. (1997). Chemometric Study and Validation Strategies in the Structure-Activity Relationship of New Cardiotonic Agents. Quant.Struct.-Act. 

Eriksson, L., Sandstrom, B.E., SjQstrom, M., Tysklind, M. and Wold, S. (1993b). Modelling the Cytotoxicity of Halogenated Aliphatic Hydrocarbons. Quantitative Structure-Activity Relationships for the IC50 to Human HeLa Cells. Quant.Struct.-Act.Relat, 12,124-131. 

Famini, G.R., Kassel, R.J., King, J.W. and Wilson, L.Y. (1991). Using Theoretical Descriptors in Quantitative Structure-Activity Relationships Comparison with the Molecular Transform. Quant.Struct.-Act.Relat., 10,344-349. 

Gombar, V.K. and Enslein, K. (1990). Quantitative Structure-Activity Relationship (QSAR) Studies Using Electronic Descriptors Calculated from Topological and Molecular Orbital (MO) Methods. Quant.Struct.-Act.Relat, 9, 321-325. 

Grossman, S.C., Jerman-Blazic Dzonova, B. and Randic, M. (1985). A Graph Theoretical Approach to Quantitative Structure-Activity Relationship. lnt.J.Quantum Chem.Quant.Biol. Symp., 12,123-139. 

Kim, K.H. (1992c). 3D Quantitative Structure-Activity Relationships Nonlinear Dependence Described Directly from 3D Structures Using a Comparative Molecular Field Analysis (CoMFA) Approach. Quant.Struct.-Act.Relat., 11, 309-317. 

Kyngas, J. and Valjakka, J. (1996). Evolutionary Neural Networks in Quantitative Structure-Activity Relationships of Dihydrofolate Reductase Inhibitors. Quant.Struct-Act.Relat., 15, 296-301. 

Lobato, M., Amat, L., Besalil, E. and Carbd-Dorca, R. (1997). Structure-Activity Relationships of a Steroid Family Using Quantum Similarity Measures and Topological Quantum Similarity Indexes. Quant.Struct.-Act.Relat., 16,465-472. 

Masuda, T., Nakamura, K., Jikihara, T., Kasuya, E, Igarashi, K., Fukui, M., Takagi, T. and Fuji-wara, H. (1996). 3D Quantitative Structure-Activity Relationships for Hydrophobic Interactions. Comparative Molecular Field Analysis (CoMFA) Including Molecular Lipophilicity Potentials as Applied to the Glycine Conjugation of Aromatic as well as Aliphatic Carboxylic Acids. Quant.Struct.-Act.Relat., 15,194-200. 

Miyashita, Y, Ohsako, H., Takayama, C. and Sasaki, S. (1992). Multivariate Structure-Activity Relationships Analysis of Fungicidal and Herbicidal Thiocarbamates Using Partial Least Squares Method. Quant.Struct.-Act.Relat, 11,17-22. 

Rose, V.S., Wood, J. and MacFie, H.J.H. (1992). Generalized Single Class Discrimination (GSCD). A New Method for the Analsyis of Embedded Structure-Activity Relationships. Quant.Struct.-Act.Relat., 11,492-504. 

Baeten A, Tafazoli M, Kirsch-Volders M, Geerlings P. Use of the HSAB principle in quantitative structure-activity relationships in toxicological research Application to the genotoxicity of chlorinated hydrocarbons. Int J Quant Chem 1999 74(3) 351-5. 

Bassoli, A., Drew, M.G.B., Hattotuwagama, C.K., Merlini, L., Morini, G. and Wilden, G.R.H. (2001) Quantitative structure-activity relationships of sweet isovanillyl derivatives. Quant, Struct, -Act, Relat, 20, 3-16. 

Chavatte, P., Yous, S., Beaurain, N., Mesangeau, C., Ferry, G. and Lesieur, D. (2002) Three-dimensional quantitative structure-activity relationship of arylalkylamine N-acetyltransferase (AANAT) inhibitors a comparative molecular field analysis. Quant. Struct. -Act. Relat., 20, 414 21. 

Chuman, H., Goto, S., Karasawa, M., Sasaki, M., Nagashima, U., Nishimura, K and Fujita, T. (2000a) Three-dimensional structure—activity relationships of synthetic pyrethroids. 1. Similarity in bioactive conformations and their structure-activity pattern. Quant. Struct. -Act. Rdat., 19, 10-21. 

Famini, G.R., Ashman, W.P., Mickiewicz, A.P. and Wilson, L.Y. (1992) Using theoretical descriptors in quantitative-structure-activity relationships opian receptor activity of fentanyl compounds. Quant. Struct. -Act. Relat., 11, 162-170. 

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