Centre for Molecular and Biomolecular Informatics
Radboud University Nijmegen
|Computer-Assisted Retrosynthetic Analysis|
Retrosynthetic analysis in itself is already a powerful tool for the chemist. However, the enormous amount of chemical knowledge available nowadays makes it difficult to use RA efficiently and thoroughly. Most of the information is relatively inaccessible, especially the newer reactions and developments in scope of older ones. In practice, the synthetic chemist is limited by the information that is most readily available to her/him. Furthermore, there is a tendency to accept the first reasonable solution and to focus attention to that direction, whereas a more thorough analysis may result in a much better solution saving weeks or even months work in the laboratory. The required extra effort is almost always a worthwhile investment. The application of a computer program which can assist in retrosynthetic analysis is then of great value. A computer program has no bias and, of course, has total recall.
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|Page author: Martin Ott||Last update: Wednesday, 1 September 2004|