Figure 8
From: PubChem structure–activity relationship (SAR) clusters
ComboT CT-opt and 2-D clusters for AID 47904. Each node represents a non-inactive compound and the edge between two nodes within a cluster indicates that the distance between the two CIDs is closer than the d thresh value used for clustering. The node color represents the value of the inhibition constant (K i ) for the compound against human carbonic anhydrase (CA) isozyme II. All singletons are removed.