Scaffold tree

The structure- and chemistry-based hierarchical organization of library scaffolds in tree-like arrangements provides a valid, intuitive means to map and navigate chemical space. Read more at Nature Chemical Biology, 2009, 5(8): 585.

Method
The scaffold tree calculation is based on Scaffold network generator (SNG); The interactive chart of scaffold tree is developed in javascript based on vis.js and smiles-drawer.js, rendered by python backend.

Here list some papers related to scaffold tree:
1. Koch M A, Schuffenhauer A, Scheck M, et al. Charting biologically relevant chemical space: A structural classification of natural products (SCONP)[J]. Proceedings of the National Academy of Sciences, 2005, 102(48):17272-17277.
2. Wetzel, S, Stefan W. Wolfram W, et al. A Scaffold‐Tree‐Merging Strategy for Prospective Bioactivity Annotation of γ‐Pyrones. Angewandte Chemie International Edition 49.21 (2010): 3666-3670.
3. Wetzel S, Klein K, Renner S, et al. Interactive exploration of chemical space with Scaffold Hunter.[J]. Nature Chemical Biology, 2009, 5(8):581-3.
4. Lachance H, Wetzel S, Kumar K, et al. Charting, Navigating, and Populating Natural Product Chemical Space for Drug Discovery[J]. Journal of Medicinal Chemistry, 2012, 55(13):5989-6001.
5. Matlock M K, Zaretzki J M, S Joshua S. Scaffold network generator: a tool for mining molecular structures[J]. Bioinformatics, 2013, 29(20):2655-2656.