Library targeted chemical

SI Cho, W Zheng, A Tropsha. Rational combinatorial library design 2. Rational design of targeted combinatorial peptide libraries using chemical similarity probe and the inverse QSAR approaches. J Chem Inf Comput Sci 38 259-268, 1998. 

Key words High-throughput chemistry, chemical library, random library, targeted library, optimization library, library design, biological activity, drug discovery. 

Fig. 1.10. Statine pharmacophore library targeting aspartic acid proteases (reprinted ( adapted or in part ) with permission from Journal of the American Chemical Society. Copyright 2001 American Chemical Society).

Application of QSAR and Shape Pharmacophore Modeling Approaches for Targeted Chemical Library Design... 

The reproducibility and reliability of RIs makes it possible to create RI libraries and the identification can be achieved without authentic reference chemicals. The reliability and simplicity of RI monitoring is increased significantly by using a computer program that searches for the RI pattern, calculates the RIs for all peaks in the chromatogram, and then compares the indices with the library data. In addition to the identification of target chemicals, RIs can also be used to locate the interesting peaks between different kinds of GC-based analytical techniques (65). In this way, it is possible to ensure that all GC-based techniques used for identification focus on the same peaks even in samples with a complex mixture of chemicals. 

Cho, S.J., Zheng, W. andTropsha, A. Rational Combinatorial Library Design. 2. Rational Design of Targeted Combinatorial Peptide libraries using chemical similarity probe and inverse QSARapproaches. J. Chem. Inf. Comput. Sci., 1998,38,259-268. 

EEC assays can be easily automated and miniaturized due to their homogeneous format and can therefore be used to screen large libraries of chemical compounds against a large diversity of biological targets, such as kinases or G Protein Coupled Receptors. 

Typically, HCS is used either for the assessment of small or targeted chemical libraries or after an initial traditional screen has focused attention on the most promising compounds. However, as faster systems are developed, larger screens may become routine. 

There is another reason to favor smaller molecules. Screeiung a library is an experiment in which chemical space is sampled with regard to the ability to bind to the target of interest. The better a given library samples chemical space, the higher the probability of finding all possible... 

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