PoC code to generate a structure depictions with partial pie charts centered on R group atoms
The code is inspired by Fig 3 in Doyon et al vwhich was developed by Attabey Rodríguez Benítez. The original visualization was designed to summarize substrate scope but can be generalized to plot any number(s) associated with R-groups (e.g., bioactivity)
The code uses the OEChem so you'll need a license to run it.
There is an example MOL file with a single R group - I've hardcoded the program to look for R1. It label the segments with names or structures but that is relatively straightforward.
The output of the script with the MOL file in this repository is
