D Quantitative Structure-Activity Relationship

Kraker, J. J., Hawkins, D. M., Basak, S. C., Natarajan, R., Mills, D. Quantitative structure-activity relationship (QSAR) modebng of juvenile hormone activity Comparison of validation procedures. Chemometr. Intell. Lab. Syst. 2007, 87, 33M2. 

A. K. Ghose, G. M. Crippen (1986). Atomic Physicochemical Paramotors for 3-D Quantitative Structure-Activity Relationships. J. Comput. Chem. 7 565-577. 

Patlewicz, G., Rodford, R., and Walker, J.D. Quantitative structure-activity relationships for predicting skin and eye irritation. Environ. Toxicol. Chem. 2003 22 1862-1869. 

Barratt, M.D., Quantitative structure-activity relationships for skin corrosivity appendix A to the report of ECVAM Workshop 6, Alt. Lab. Anim. (ATLA), 23, 219-255, 1995. 

Barratt, M.D., Quantitative structure-activity relationships (QS ARs) for skin corrosivity of organic acids, bases and phenols principal components and neural network analysis of extended datasets, Toxicol, in vitro, 10, 85-94, 1996b. 

Propafenone 143, a drug in clinical use as an antiarrhythmic, has activity in the modulation of cancer multidrug resistance. A series of benzofuran analogues of propafenone, such as compound 144, have been synthesized and evaluated in a daunomycin cytotoxicity assay <1996JME4767>. The results of this work were later the subject of a comparative molecular field analysis (3-D quantitative structure-activity relationship (QSAR)) <1998QSA301>. 

Nicolotti, O., Pellegrini-Calace, M., Altomare, C., Carotti, A., Carrieri, A., and Sanz, F. 2002. Ligands of neuronal nicotinic acetylcholine receptor (nAChR) Inferences from the Hansch and 3-D quantitative structure-activity relationship... 

Holiday J D, S R Ranade and P Willett 1995. A Fast Algorithm For Selecting Sets Of Dissimilar Molecule From Large Chemical Databases. Quantitative Structure-Activity Relationships 14 501-506. 

Hudson B D, R M Hyde, E Rahr, J Wood and J Osman 1996. Parameter Based Methods for Compoun Selection from Chemical Databases. Quantitative Structure-Activity Relationships 15 285-289. 

Rogers D, Hopfinger AJ. Application of genetic function approximation to quantitative structure-activity relationships and quantitative structure-property relationships. I Chem Inf Comput Sci 1994 34(4) 854-66. 

Walker, J.D., Jaworska, J., Comer, M.H.I., Schultz, T.W., Deardon, J.C. (2003) Guidelines for Developing and Using Quantitative Structure Activity Relationships. Environmental Toxicology Chemistry, 22(8), 1653. 

C. N., Boutina, D., Beck, G., Sherbom, B., Cooper, J., Platts, J. A. Evaluation of human intestinal absorption data and subsequent derivation of a quantitative structure-activity relationship (QSAR) with the Abraham descriptors. J. Pharm. Sci. 2001, 90, 749-784. 

Lewis, D. F., Lake, B. G., Ito, Y., Anzenbacher, P. Quantitative structure-activity relationships (QSARs) within cytochromes P450 2B (CYP2B) subfamily enzymes the importance of lipophilicity for binding and metabolism. Drug Metab. Drug Interact. 

Anderson, G.M. Braun, G. Braun, U. Nichols, D.E. and Shulgin, A.T. Absolute configuration and psychotomimetic activity. In Barnett, G. Trsic, M. and Willette, R., eds. Quasar Quantitative Structure Activity Relationships of Analgesics, Narcotic Antagonists, and Hallucinogens. National Institute on Drug Abuse Research Monograph 22. Rockville, MD the Institute, 1978. pp. 8-15. 

QUASAR QUANTITATIVE STRUCTURE ACTIVITY RELATIONSHIPS OF ANALGESICS, NARCOTIC ANTAGONISTS, AND HALLUCINOGENS. Gene Barnett, Ph.D. Milan Trsic, Ph.D. and Robert Willette, Ph.D. eds. 

Mackay, D., Paterson, S. (1990) Fugacity models. In Practical Applications of Quantitative Structure-Activity Relationships (QSAR) in Environmental Chemistry and Toxicology. Karcher, W., Devillers, J., Eds., pp. 433 -60, Kluwer Academic Publishers, Dordrecht, The Netherlands. 

Passino, D.R.M., Smith, S.B. (1987) Quantitative structure-activity relationships (QSAR) and toxicity data in hazard assessment. In QSAR in Environmental Toxicology-II. Kaiser, K.L.E., Editor, D. Reidel Publishing Co., Dordrecht, Holland, pp. 261-270. 

Anderson, G. M., Ill, Castagnoli, N., Jr., and Kollman, P. A. (1978) Quantitative structure-activity relationships in the 2,4,5-ring substituted phenylisopropylamines. In NIDA Research Monograph Series 22, edited by G. Barnett, M. Trsic, and R. Willette, pp. 199-217. U. S. Govt. Printing Office, Washington, D. C. 

Basak, S. C., Gute, B. D., Grunwald, G. D. Relative effectiveness of topological, geometrical, and quantum chemical parameters in estimating mutagenicity of chemicals. In Quantitative Structure—Activity Relationships in Environmental Sciences VII, Chen, F., Schuurmann, G., Eds., SETAC Press, Pensacola, EL, 1998, pp. 245-261. 

Ekins, S., Crumb, W.J., Sarazan, R.D., Wikel, J.H. and Wrighton, S.A. (2002) Three-dimensional quantitative structure-activity relationship for inhibition of human ether-a-go-go-related gene potassium channel. The Journal of Pharmacology and Experimental Therapeutics, 301, 427—434. 

Baroni, M., Costantino, G., Cruciani, G., Riganelli, D., Valigi, R. and Clementi, S. (1993) Generating optimal linear PLS estimations (GOLPE) an advanced chemometric tool for handling 3D-QSAR problems. Quantitative Structure-Activity Relationships, 12, 9-20. 

Honorio, K.M., Garratt, R.C. and Andricopulo, A.D. (2005) Hologram quantitative structure—activity relationships for a series of farnesoid X receptor activators. Bioorganic Medicinal Chemistry Letters, 15, 3119—3125. 

Three-dimensional quantitative structure activity relationship (3D-QSAR) analysis for in vitro toxicity of chlorophenols to HepG2 cells Y. Liu, J.N. Chen, J.S. Zhao, H.X. Yu, X.D. Wang, J. Jiang, H.J. Jin, J.F. Zhang and L.S. Wang... 

Mackay D, Peterson S (1990) In Karcher W, Devillers J (eds) Practical applications of quantitative structure-activity relationships (QSAR) in environmental chemistry and toxicology, Kluwer Academic Publishers, Dordrecht, Holland, p 433... 

J. J. Sorci, D. L. Macalady, Quantitative Structure-Activity Relationships in Bacterial and Abiotic Alkaline Hydrolysis of Para-Substituted Acetanilides , J. Agric. Food Chem. 1993, 41, 1760-1766. 

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