Version V10.3 of Spark, Cresset’s computational chemistry software for idea and bioisostere generation, includes the ability to ‘tag’ results with a custom user-defined note that can be used for sorting, filtering, and decision-making. This expands on the ‘favorites’ designation in that tags can be used to explain why a result was flagged as a favorite. For example, you can tag suggested results as being known already, interesting, synthetically unfeasible, or any other designation that you might need.
The tile view of results allows for rapid assessment of the bioisosteric substitution, along with selected properties in a tiled view. This allows for a stream-lining of the visualization of many results from the Spark experiment and can be sorted and filtered the same way as the regular spreadsheet view in the Molecule Table.
See this in action in the web clip below and contact us to find out more.