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Start searching for chemical data by… drawing

Posted by Bart Froyen on Mar 17, 2022 8:32:42 PM

To make this happen, we have set up a collaboration with ChemAxon, a cheminformatics and bioinformatics software solution provider. We’ve integrated their molecule drawing and editing tool Marvin JS into DISQOVER.

Users of DISQOVER will be able to switch between the classical ‘string’ search and the new ‘chemical’ search, from the moment the Marvin JS plugin is configured on their version of DISQOVER.

  • - Users can draw a molecule or molecular fragment in Marvin JS and select a search action which is sent to a third-party service.

  • - The results are sent back to DISQOVER, where the user can continue to navigate the linked data.

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This setup will make it much easier for chemists to solve several use cases, like:

  • - Searching for chemicals similar to a drawn structure and find where they are stored internally, or continue the search by looking at related publications, patents, etc.

  • - Searching for information about a drawn molecule in public and/or local data sources.

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Want to add JS Marvin to your DISQOVER? Contact us to make it happen.

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