Fig. 2. Compound structural diversity and its association with antioxidant activity.
(A) Network visualization of compound relationships, where nodes represent individual compounds and edges connecting the nodes indicate high structural similarity between compounds (Tanimoto coefficient exceeding 0.7). Nodes are colored according to their experimentally determined antioxidant activity (gray for inactive, red for active). The network is segregated into three sub-panels: (i) a network containing only interconnected active compounds, (ii) a network with solely interconnected inactive compounds, and (iii) a network with a mixture of active and inactive interconnected compounds. (B) A representative example of a network module containing both active and inactive compounds. This highlights the potential for structurally similar compounds to exhibit diverse antioxidant properties. The border color of each node corresponds to its experimentally determined antioxidant activity (gray for inactive, red for active).
© Korean J Physiol Pharmacol
