Figure 2

Clustering the CHEMBL1871 family (Androgen Receptor Ligands). The left hand frame shows the compounds in the filtered family in their original order. In the right hand frame, the multi-coloured strips show the proposed restructuring of these compounds into meaningful clusters, with each colour representing a different grouping of structurally similar compounds and hence one of the 126 separate refined families; the top left hand region is populated by singletons.