You could use the "MoSS MCSS Molecule Similarity" node to compute a distance matrix based on the size of pairwise MCSS. Then use e.g. k-Medoid or Hhierarchical Clustering on the distance matrix.
You could use the "MoSS MCSS Molecule Similarity" node to compute a distance matrix based on the size of pairwise MCSS. Then use e.g. k-Medoid or Hhierarchical Clustering on the distance matrix.