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Over the last few decades, an unprecedented amount of data has emerged as a result of a new way of obtaining knowledge: an exploratory and integrative analysis of data sets called a holistic approach. In the life sciences, this holistic view is represented by the systems biology approach that aims to understand the functioning of organisms and their interactions with the environment through the study of the integration of stratified levels of molecular information that begin in gene expression and culminate in phenotypic characteristics. To deal with this plurality of information, ″knowledge discovery in databases″ has been implemented in several areas of chemical biology and has promoted the collection, storage and processing of multivariate data. Throughout this chapter we intend to explore the main databases of chemical biology used, highlighting the areas of proteomics, metabolomics, natural products and medicinal chemistry, as well as providing a brief discussion on the current status of the integration of ″omics″ knowledge available in databases.

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