Scaffold Hunter – Interactive Exploration of Chemical Space

Klein, Karsten and Kriege, Nils and Mutzel, Petra and Waldmann, Herbert and Wetzel, Stefan (2010) Scaffold Hunter – Interactive Exploration of Chemical Space. In: Graph Drawing 17th International Symposium, GD 2009, September 22-25, 2009, Chicago, IL, USA , pp. 426-427 (Official URL:

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Scaffold Hunter is a Java-based software tool for the analysis of structure-related biochemical data. It facilitates the interactive exploration of chemical space by enabling generation of and navigation in a scaffold tree hierarchy annotated with various data. The graphical visualization of structural relationships allows to analyze large data sets, e.g., to correlate chemical structure and biochemical activity.

Item Type:Conference Paper
Additional Information:10.1007/978-3-642-11805-0_47
Classifications:S Software and Systems > S.120 Visualization
J Applications > J.999 Others
ID Code:1094

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Schuffenhauer, A., Ertl, P., Roggo, S., Wetzel, S., Koch, M.A., Waldmann, H.: The scaffold tree - visualization of the scaffold universe by hierarchical scaffold classification. J. Chem. Inf. Model. 47(1), 47–58 (2007)

Scaffold Hunter Project Webpage,

Wetzel, S., Klein, K., Renner, S., Rauh, D., Oprea, T.I., Mutzel, P., Waldmann, H.: Interactive exploration of chemical space with scaffold hunter. Nat. Chem. Biol. 5(8), 581–583 (2009)