This project is a toy example of a shiny app that depicts compound structures (from MOL files) using the ChemDoodle web components framework in a data table generated by the DT R package. It was inspired by the chemdoodle HTMLwidget written by Zach Charlop-Powers and described in this blog post.

A nice implentation of this would be as a shiny widget that is an extension of DT for datatables. This would allow R users to easily visualise tables of data that contain chemical information including the compound structure. What isn't clear is how to implement a widget within a widget - ie a ChemDoodle widget within a datatable widget?

The shiny app can be downloaded and run by cloning the git repository, or it can be viewed here: https://cruk-mi-ddu.shinyapps.io/ShinyStructuresPublic/

Select 'MOLFILE' from the 'Select Molfile Column' dropdown.