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Integration of Biological Activity To Global Natural Product Social Molecular Networking: A Preliminary Study To Support User Friendly Drug Discovery
Natural products can be a source of new medicines. In the process of discovering novel drugs, large quantities of data are generated and processed. For this project, much of the data will come from bioactivity data generated from Natural Products Drug Discovery Lab and data analyzed by Global Natural Product Social Molecular Networking (GNPS Molecular Networking by Peter Dorrestein1). This project studies Natural Products to find the correlation between the compounds and their bioactivity, supported through visualizations. This system will assist the user in identifying compounds, which are both bioactive and novel through the bioactivity molecular network output. Nodes in the network will represent different compounds and display their characterizing information. We performed a survey of users interacting with the existing tools and discovered that the users had many usability problems with the existing process. Our aim is to support new undergraduate and graduate researchers by improving the usability of this system by reducing the time and effort through an integrated software dashboard. The population surveyed commented through user statements that the process was frustrating, supplied poor feedback and the overall process was long with many steps with much time to accomplish the expected result. We began this participatory design project by eliciting requirements from our design and development team in Natural Products Drug Discovery and studied the existing project that is used for this process. Our project has designed a new dashboard and dialog that will provide an improved user experience with a greater than 80% reduction in time for the first step of the experiment. Our prototype is practical in that we intend to quicken the process of discovering new effective drugs from Natural Products and to simplify the experimental process to support the usage of this type of research tool in undergraduate and graduates in pharmaceutical sciences.