R-Group Analysis Video
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.