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Chemical research and in particular medicinal chemistry hinges on ingenuity and creativity. Despite our current knowledge of the fundamentals of chemical reactions, design and chemical synthesis it is still a kind of gambling game if we seek bio-active molecules with maximum efficacy and minimum toxicity. This process of empirical research is relying on continuously improving experimental work and staying up to date about whats going on in the domain.
Therefore, there is a need to use different public data sources ranging from biology, and pharmacy to chemistry and to combine them with internal project information, chemical synthesis data, chemical libraries, bio-assays, and more.
With DISQOVER, chemists and researchers are able to combine chemical structure and property searches, creating a more integrated drug development or chemical research workflow.
How public data sources are integrated and can be linked to internal or third-party chemical data. Information about data types such as chemicals and active substances can be searched, explored and filtered with DISQOVER.
How a third-party data source can be integrated and used to explore semantic links between chemicals and substructures.
Next to the typical text-based search, DISQOVER’s search page can be extended with a chemical drawing canvas. This opens a wealth of possibilities to draw or insert chemical structures and initiate a similarity or substructure search.