Case study 1a. The projection view for case study Hit Selection. In a) the projection of the users original selection is shown. The only common motif is the phenyl moiety. That this motif is shown in two clusters can be interpreted as: "The contained compounds share a common substructure, but besides that they form different clusters of structural similarity." By expanding the selection in b) a hit can be visually indicated, because the structural similar motifs are spread over an activity range.
Strobelt et al. BMC Bioinformatics 2012 13(Suppl 8):S4 doi:10.1186/1471-2105-13-S8-S4