02a_R-Group_Decomposition Bonus material

This workflow demonstrates how to perform R-Group Decomposition using the RDKit community extension and the enumeration of the library using the Python and the RDKit integrations.
The workflow has several steps
I. Compute MCS.
II. Perform R-Group Decomposition.
III. Find how many molecules with each combination of the two selected R-groups are in the dataset.
IV. Visualize the results of the R-group decomposition.

Bonus: Enumerate missing compounds using the python script and the RDKit nodes. Make sure to define the python environment in the File > Preferences. For more details on installation of rdkit inside your python/conda environment please see https://www.rdkit.org/docs/Install.html