R-Group Analysis

Wednesday, 16 October 2013 20:50
Edmund Champness

The objective in this example is to take a look at an R-Group analysis of two data sets to identify functionalities which are influencing potency. In the second half we consider an example where we have different series, based around multiple scaffolds, where the substitution points are equivalent because they share a similar binding pose. In these cases, we would like to identify common patterns for substitutions at equivalent positions or look for the effect of the core replacements on compound properties. To do this we show how multi-scaffold R-Group analysis can be performed in StarDrop.

To try this example yourself, please visit the Tutorials section of the Community. If you don't have access to StarDrop or the optional modules and would like to arrange a free trial license, please email us at

To hear the narration, please increase your speaker volume.

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Last Updated on Thursday, 11 January 2018 16:00