ABSTRACT
Articial intelligence, or soft computing, plays an increasingly important role in evaluating scientic data. In particular, analytical chemistry, cheminformatics, and bioinformatics depend on the power of articial intelligence approaches to store and use the experience and knowledge of the experts in a company efciently. The extensive use of computational methods leads to a steady increase of data that are barely manageable, even with a team of scientists. Consequently, automated intelligent analysis techniques for primary data are becoming essential, particularly in the research areas of combinatorial chemistry, chemometrics, cheminformatics, and bioinformatics. This chapter provides an overview of techniques used in combination with knowledge-or rule-based approaches.
