Cheminformatics: At the Crossroad of Eras

In this chapter, we discuss how the profusion of experimental chemogenomics data available in public repositories is transforming the field of cheminformatics. In particular, we describe (i) both theoretical and technical challenges related to the management, analysis, and visualization of large and diverse chemical datasets, (ii) the unique opportunities offered by Big Chemical Data for designing molecules with the desired properties and expanding the use of cheminformatics in novel areas of research, and (iii) some innovative approaches that are likely to shape the future of cheminformatics.

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