Additional methods of presenting the results.
For RuleDesign(R) we have added two addition methods of looking at the suggest molecules:
A lightweight view:
So it is possible to view the results in browser and sort on just one of the data types that led to the suggestion being made. In the above example it is median change in solubility. So imagine working through the results as a team in a design meeting: click the molecules you like and export that selection and pass to your synthesis management tool.
A medium weight view – including the pizza wheels:
Users really like the ‘pizza wheel’ views of the data in SpotDesign(R). Well we have transferred these to RuleDesign(R), and presented an ‘in browser’ view of individual suggested molecules. It is possible to drag and drop the wheels so your favourite, two or three, ADMET property summaries can be seen next to each other. As with other ‘pizza wheels’ click a ‘slice’ to drill further into the matched pair data.