Combinatorial Chemistry

The combinatorial chemistry tries various combination and variation by residues of a basic structure, a plurality of molecules to produce, from those to be retrieved with the desired or optimized properties. For synthesis robots and standardized response procedures are most often used.

The preferred user is medicinal chemistry or pharmacology . There, new active ingredients are found or optimized with the help of combinatorial chemistry . While in the early 1980s attempts were made to produce the largest possible number of compounds, so-called libraries, the trend later went towards the synthesis of purified and well-characterized individual compounds. The transition to parallel synthesis became fluid.

Web links

• SmiLib: A free open source software for fast enumeration of combinatorial libraries
• Introduction and Glossary (English)

literature

• Gerhard Klebe: drug design: design and effect of drugs . 2nd Edition. Spectrum, Akad. Verl, Heidelberg 2009, ISBN 978-3-8274-2046-6 , chapter combinatorics: chemistry with large numbers .