Cheminformatics and Organic Chemistry. Computer-Assisted Synthetic Analysis

The interest in the use of computers in synthetic organic chemistry has shown a considerable increase over the last decades, possibly reflected in the special ‘Computer Session’ at the 8th International IUPAC Conference on Organic Synthesis in Helsinki [1]. However, the impact of computerization has been less than in other disciplines of science, and certainly less than in other chemical disciplines. For example, molecular modeling is a technique that was developed around the same time and its use is widespread now, as is reflected, for instance, in Chapters 5 and 7 of this book. One might speculate on the reasons for this observation, but among them certainly the following are important.

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