TeachOpenCADD Workflow 6: Maximum common substructures

In order to visualize shared scaffolds and thereby emphasize the extent and type of chemical similarities or differences of a compound cluster, the maximum common substructure (MCS) can be calculated and highlighted. In this workflow, the MCS for the largest cluster from previously clustered compounds (TeachOpenCADD Workflow 5) is calculated using the FMCS algorithm.

This is a companion discussion topic for the original entry at https://kni.me/w/bOiOAUir0TuAKTz7