Combinatorial libraries integration

Tondi D, Costi MR Enhancing the drug discovery process by integration of structure-based design and combinatorial synthesis. In Viswanadhan AK, Chose VN, editors. Combinatorial library design and evaluation. New York Marcel Dekker, 2001. p. 563-604. 

Lipinski, C.A. Integration of physicochemical property considerations into the design of combinatorial libraries. Pharm. Nears 2002, 9, 195-202. 

Key words Drug discovery, chem-informatics, molecular design, combinatorial chemistry, combinatorial library, synthesis protocol, PGVL, reactant, product, enumeration, filtering integration, workflow, streamline, desktop tool, software deployment. 

Darvas, R and Dorman, G., Early integration of ADME/Tox parameters into the design process of combinatorial libraries, Chimica Oggi/Chemistry Today, 17, 10-13, 1999. 

In this chapter we will discuss not only the methods and techniques used for analysis of small-organic-molecule libraries but also the approaches for generation of these libraries, with the understanding that synthesis, analysis, and screening of combinatorial libraries are the integrated parts of combinatorial technology. 

Some companies (75, 76) have developed their own automated instruments for combinatorial library synthesis in solution to produce large, purified arrays of discretes (up to several tens of thousands of individuals) the available information is obviously scarce, but an example of such a proprietary integrated synthesizer will be presented in section 8.2.6. 

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