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Keywords:

  • chemical space;
  • cheminformatics;
  • natural products;
  • scaffold trees;
  • target space
Thumbnail image of graphical abstract

Tactical target setting: The merging of natural product and non-natural product based hierarchical scaffold trees annotated with bioactivity (see schematic illustration) together with brachiation along structural lines of biological relevance provides a novel strategy for the prospective identification of protein targets for compound collections inspired by natural product structures.