Drug discovery is a complex process that involves the simultaneous optimization of multiple parameters. Effective discovery teams must be able to analyze data, identify trends, and decide on a direction for compound optimization. This analysis typically requires the synthesis of not only internal data, but also information culled from external sources such as patents and papers. Many informatics systems provide the ability to query internal data, but few can integrate design tools with a combined analysis of internal and external data. Rather than simply combining all of the data into a single data warehouse, we have used facilities such as application programming interfaces(APIs) to create links to a wide array of relevant external sources. This presentation will use a few case studies to present some of our recent work on a unified informatics infrastructure that allows facile access to internal data as well as a variety of literature sources.

Integrating design, analysis, and visualization into the drug discovery workflow

245th National Meeting (2013)

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