Gathering publicly available pharmacological data from internet databases is annoying due to the large number of data sources, the different data formats and query mechanisms used. In 2011, the Open PHACTS project has been initiated to overcome these issues by integration of pharmacological data from a variety of information resources. Following an application-oriented approach, the project started with the definition of potential use cases in the form of prioritized research questions, most of which can only be answered by accessing multiple data sources in the web. The development of the platform as well as the services has been guided by these questions.Here, we present the ChemBioNavigator (CBN), a web application allowing to navigate the Open PHACTS chem-bio space with a focus on small molecules and their targets. It allows interactive exploration of compound sets through sorting and subset selection as well as extending sets by substructure, similarity search or target specific assay data. Taking a step beyond the use-case driven development, the CBN is based on the analysis of several interviews with potential users from pharmaceutical industry. The interviews gave invaluable insights not only about the day to day use-cases, but also deficiencies as well as highly valued features of the existing tools. This leads to an agile and target-oriented development, which is able to quickly adapt to changing requirements from the scientist's daily work.On our poster we present a couple of high-priority research questions and their answers found by the CBN.

Simplifying the navigation through pharmacological data in the world-wide web

247th National Meeting (2014)

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