Fig. 5.

Core structure–activity relationship visualization for the largest series in a dataset of Akt2 inhibitors. a Molecule–core bipartite network. Molecules are shown as small red dots, while cores are represented as larger dots and colored by the median of the pIC₅₀ of the molecules represented by them. b Core network obtained from the molecules-cores bipartite network. Nodes are putative cores and edges are drawn between nodes that share at least one compound in the dataset; c final CSAR visualization. Redundant cores were omitted and chemical structures were added to the core’s network