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 , pp. 426-427(Official URL: http://dx.doi.org/10.1007/978-3-642-11805-0_47).

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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.

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
URI: http://gdea.informatik.uni-koeln.de/id/eprint/1094

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