The adaptability of pyFlare to access advanced data visualization and calculation functionalities
We showcase some examples within a drug discovery context where the pyFlare environment has been further expanded with advanced data ...
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Optimizing the physical properties of molecules is a key goal in most drug discovery or agrochemical research projects. Molecules must be active but also need to reach the site of action, at the correct concentration and for long enough (but not too long) to be useful. In a spreadsheet these properties are listed as numerical values in columns and can be difficult to compare across molecules in a quick way. By plotting the numerical information in a radial plot it is possible to quickly visualize the data and in particular how the data fits the project requirements rapidly. Moreover comparisons of the radial plots of multiple molecules makes it possible to quickly identify trends, sort on overall fit to the project profile or find outliers enabling the team to focus on the results that meet the project goals rather than those which solve the immediate problem.
Radial plots can be used in all our desktop applications (Torch, Forge, Spark). See this in action in the web clip below and contact us to find out more.