Library design focusing

W Zheng, SI Cho, A Tropsha. Rational combinatorial library design 1. Focus-2D A new approach to the design of targeted combinatorial chemical libraries. J Chem Inf Comput Sci 38 251-258, 1998. 

Poulain, R., Horvath, D., Bonnet, B., Eckhoff, C., Chapelain, B., Bodinier, M.-C., and Deprez, B., From hit to lead. Combining two complementary methods for focused library design. Application to g opiate ligands, /. Med. Chem., 44, 3378, 2001. 

Tropsha, A. and Reynolds, C.H. Designing focused libraries for drug discovery hit to lead to drug. J. Mol. Graph. Model. 2002, 20, 427-428. 

We will synthesize a 6,000-member focused library designed to inhibit the caspase family of cysteine proteases involved in apoptosis. 

Schneider P, Schneider G. (2003) Collection of bioactive reference compounds for focused library design. Quant. Struct.-Act. Relat. 22 713-718. 

Using such a table, it is then possible to sort a whole family of GPCRs according to the type of SAR that the receptor displays. This can, in turn, be used to design focused libraries with which to screen particular subsets of receptors (see below), or to define search criteria with which to trawl... 

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