Computational techniques drug design

In this chapter, we briefly review various aspects of the chemical information systems used by the chemist for literature and patent searches the field of computer-aided drug design technologies, cheminformatics, as well as other applications. We place special emphases on the ligand-based techniques and only briefly mention the structure-based design technologies. 

Since the late 1980s, computer-aided drug design (CADD) techniques have found wide application in the pharmaceutical and biotech industries. In the... 

KARMA is an interactive computer assisted drug design tool that incorporates quantitative structure-activity relationships (QSAR), conformational analysis, and three-dimensional graphics. It represents a novel approach to receptor mapping analysis when the x-ray structure of the receptor site is not known, karma utilizes real time interactive three-dimensional color computer graphics combined with numerical computations and symbolic manipulation techniques from the field of artificial intelligence. 

Bures, M.G. Recent techniques and applications in pharmacophore mapping. In Practical Application of Computer-Aided Drug Design,... 

Mason JS, McLay IM, Lewis RA, Applications of computer-aided drug design techniques to lead generation, In Dean PM, Jolles G, Newton CG, eds., New Perspectives in Drug Design, London, Academic Press, pp. 225-253, 1994. 

Mason, J.S., McLay, I.M. and Lewis, R.A. Apphcations of Computer-Aided Drug Design Techniques to Lead Generation. In New Perspectives in Drug Design, 1994, Eds. P.M Dean, G. Jolles and C.G. Newton, Academic Press, London, pp. 225-253. 

Bures, M. G. Recent Techniques and Applications in Pharmacophore Mapping, in Practical Applications of Computer-Aided Drug Design, Charifson,... 

Current pharmaceutical research has taken advantage of newer computational methods, the so-called computer-aided drug design, and other physicochemical techniques such as X-... 

New chapter on computational chemistry and computer-assisted drug design, exploring techniques of molecular modeling and computational chemistiy in response to the growth ot powerful personal computers on the desks of today s medicinal chemists... 

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