Fig. 8

Looping through scaffold clusters and generating a maximum common substructure for a given cluster: The ‘Table Row To Variable Loop Start’ accepts a single target per iteration and the ‘Recursive loop start’ takes a single cluster (indicated by the ‘Cluster number’ column) per iteration. From the scaffolds grouped into a single cluster their maximum common substructure (the ‘RDKit MCS’ node) is calculated. The output table contains the target as a UniProt ID and associated substructures in SMARTS format