I am using the RDKit R-Group Decomposition node for a small SAR project and I am wondering if there is a way to display the R-group enumeration also in the SMARTS core depiction. In my case, I have 7 R-groups around the core and I can see an “A”-label for each, however without the numbering. Especially for discussions with other project members or for presentations, it would be extremely helpful to have a core depiction with the numbers correlating to the columns in the output of the decomposition.
Any way to do that?
Thank you very much and best regards