Combinatorial chemistry

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Combinatorial chemistry

Combinatorial chemistry comprises chemical synthetic methods that make it possible to prepare a large number (tens to thousands or even millions) of compounds in a single process. These compound libraries can be made as mixtures, sets of individual compounds or chemical structures generated by computer software.Combinatorial chemistry can be used for the synthesis of small molecules and for peptides.

Strategies that allow identification of useful components of the libraries are also part of combinatorial chemistry. The methods used in combinatorial chemistry are applied outside chemistry, too.

Synthesis of molecules in a combinatorial fashion can quickly lead to large numbers of molecules. For example, a molecule with three points of diversity (R1, R2, and R3) can generate {\displaystyle N_{R_{1}}\times N_{R_{2}}\times N_{R_{3}}} possible structures, where {\displaystyle N_{R_{1}}}, {\displaystyle N_{R_{2}}}, and {\displaystyle N_{R_{3}}} are the numbers of different substituents utilized.[citation needed]

The basic principle of combinatorial chemistry is to prepare libraries of a very large number of compounds then identify the useful components of the libraries.

In its modern form, combinatorial chemistry has probably had its biggest impact in the pharmaceutical industry. Researchers attempting to optimize the activity profile of a compound create a 'library' of many different but related compounds.[citation needed] Advances in robotics have led to an industrial approach to combinatorial synthesis, enabling companies to routinely produce over 100,000 new and unique compounds per year.

In order to handle the vast number of structural possibilities, researchers often create a 'virtual library', a computational enumeration of all possible structures of a given pharmacophore with all available reactants. Such a library can consist of thousands to millions of 'virtual' compounds. The researcher will select a subset of the 'virtual library' for actual synthesis, based upon various calculations and criteria (see ADMEcomputational chemistry, and QSAR).

Chemical Informatics is Insight medical publisher journal and also one of the most emerging fields in the present scenario. It is a multidisciplinary field which covers the research containing molecular design tools for finding the best fitting compounds which address to particular targets.

Chemical Informatics is a vast field that aims to disseminate information regarding the design, structures, creation, dissemination, visualization and the use of chemical information. Chemical Informatics Journal aims to supply scientists of resources in order to provide the scientific knowledge through the publication of peer-reviewed, high quality, scientific papers and other material on all topics related to Chemical information, Software and databases.

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