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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 gamble to seek bio-active molecules with maximum efficacy and minimum toxicity. This process of empirical research relies on continuously improving experimental work and staying up-to-date about whats going on in the domain. There is therefore 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. This webinar further details this process.
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.