01_R-Group_Decomposition

This is an exercise workflow to perform R-Group Decomposition. To complete the workflow follow the instructions in the annotations. 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. Create a component to visualize the results of the R-group decomposition.


This is a companion discussion topic for the original entry at https://kni.me/w/AyTDlTUSQjYHkfQ2