Abstract
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.
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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, http://sourceforge.net/projects/scaffoldhunter/
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)
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Klein, K., Kriege, N., Mutzel, P., Waldmann, H., Wetzel, S. (2010). Scaffold Hunter – Interactive Exploration of Chemical Space. In: Eppstein, D., Gansner, E.R. (eds) Graph Drawing. GD 2009. Lecture Notes in Computer Science, vol 5849. Springer, Berlin, Heidelberg. https://doi.org/10.1007/978-3-642-11805-0_47
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DOI: https://doi.org/10.1007/978-3-642-11805-0_47
Publisher Name: Springer, Berlin, Heidelberg
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