Figure 11
From: PubChem structure–activity relationship (SAR) clusters
CT CT-opt, ComboT CT-opt, and 2-D clusters for BSID 545294. The nodes are noninactive compounds in assays involved in BSID545294. The node colors represent the original literature from which the biological activities of the compounds were extracted (green for PMID 17346963, cyan for PMID 18707087, purple for PMID 21309593, and red for PMID 21591606). The node labels are omitted for brevity, but information on cluster members can be found in Additional file 3.