Figure 5.

Scaffold analysis, self-organizing mapping (SOM), and cluster analysis of chemical components. (A) The clusters of chemical component structures self-organized by SOM based on ring system. (B) Cluster similarity analysis of nearest neighbours and clearly associated families of structures. (C) Clusters analysis using manual visual reduction and optimization. (D) Twelve cluster structures and 8 cluster families with ring systems were yielded. (E) Representative metabolic pathways of 8 pharmacophores were screened. The representative pathways were collected from TCMSP²⁹.