Design in QSAR

Baroni, M., Clementi, S., Cruciani, G., Kettaneh-Wold, N. and Wold, S. (1993) D-optimal designs in QSAR. QSAR, 12, 225. 

Kubinyi, H. (1995). From Lipophilicity to 3D QSAR - The Fascination of Computer-Aided Drug Design. In QSAR and Molecular Modelling Cocepts, Computatiorml Tools and Biological Applications (Sanz, F, Giraldo, J. and Manaut, F, eds.), Prous Science, Barcelona (Spain), pp. 2-16. 

Pastor, M. and Alvarez-Builla, J. (1994). New Developments of Edisfar Programs Experimental Design in QSAR Practice. JChem.Irif.Comput.Sci., 34,570-575. 

Skagerberg, B., Bonelli, D., dementi, S., Cruciani, G. and Ebert, C. (1989). Principal Properties for Aromatic Substituents. A Multivariate Approach for Design in QSAR. Quant.Struct.-Act.Relat., 8, 32-38. 

Galvez, J., Garda, A.E., De Julian-Ortiz, V. and Soler, R. (1995) A topological approach to drug design, in QSAR and Molecular Modelling Concepts, Computatioruil Tools and Biological Applications... 

To understand the recommendations for structure descriptors in order to be able to apply them in QSAR or drug design in conjunction with statistical methods or machine learning techniques. 

J. Devillers, Neural Networks in QSAR and Drug Design Academic Press, San Diego (1996). 

Leahy, D. E., Morris, J. J., Taylor, P. J., Wait, A. R. Membranes and their models towards a rational choice of partitioning system. In QSAR Rational Approaches to the Design of Bioactive Compounds, Silipo, G., Vittoria, A. (eds.), Elsevier, Amsterdam, 1991, pp. 75-82. 

This chapter describes and classifies H-bond descriptors, and indicates possible areas of their application in QSAR studies and drug design. Similar analyses were presented in previous articles [3-5]. 

Application of H-bond Descriptors in QSAR Studies and Drug Design... 

Raevsky, O. A. QSAR description of molecular strucmre. In QSAR in Drug Design and Toxicology, Hadzi, D., Jerman-Blazic, B. (eds.), Elsevier, Amsterdam, 1987, pp. 31-36. 

As we have stated in the introduction to this chapter and as appears from this overview, a wide variety of chemometric methods converges in QSAR, which plays a key role in the design of novel and improved drugs. 

D. Domine, D. Wienke, J. Devillers and L.M.C. Buydens, A new nonlinear neural mapping technique for visual exploration of QSAR data. In Neural Networks in QSAR and Drug Design, J. Devillers (ed.). Academic Press, London, 1996, p. 223-253. 

E. Tomlinson, in QSAR in Design of Bioactive Compounds (M. Kuchar, ed.), Prous, Barcelona, 1984, p. 219. 

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