Chemoinformatics

Drug design is the most complex and at the same time most important objective of chemoinformatics. Accordingly, we can interpret a formation of chemoinformatics as an answer to a fascination of the potential but also to the disappointment of computer assisted drug design in early 90′. Computers should be taught the essentials of chemistry to be intelligent and flexible enough to adopt the uncertainty of fuzzy in vitro molecular data. A new drug additionally to its in vivo advantages should also win the market. This decides the scope is broad here, extending from physics to economy.

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