Chemoinformatics - An Important Scientific Discipline

Johann GASTEIGERa* and Kimito FUNATSUb

aComputer-Chemie-Centrum and Institute of Organic Chemistry, University Erlangen-Nuremberg§
91052 Erlangen, Germany
bDepartment of Chemical System Engineering, School of Engineering, The University of Tokyo
7-3-1 Hongo, Bunkyo-ku, Tokyo 113-8656, Japan

(Received: October 27, 2005; Accepted for publication: February 10, 2006; Published on Web: March 31, 2006)

Chemoinformatics is the application of informatics methods to solve chemical problems. Although this term was introduced only a few years ago, this field has a long history with its roots going back more than 40 years. These different origins have now merged into a discipline of its own that is full of activities. All areas of chemistry from analytical chemistry to drug design can benefit from chemoinformatics methods. And there are still many challenging chemical problems waiting for solutions through the further development of chemoinformatics.

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