Scaffold Hunter – Interactive Exploration of Chemical Space

Scaffold Hunter – Interactive Exploration of Chemical Space

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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Authors
  • Klein, Karsten
  • Kriege, Nils M.
  • Mutzel, Petra
  • Waldmann, Herbert
  • Wetzel, Stefan
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Shortfacts
Category
Paper in Conference Proceedings or in Workshop Proceedings (Paper)
Event Title
Graph Drawing: 17th International Symposium, GD
Divisions
Data Mining and Machine Learning
Event Location
Chicago, IL, USA
Event Type
Conference
Event Dates
22.-25-09.2009
Series Name
Graph Drawing
ISSN/ISBN
0302-9743/978-3-642-11804-3
Publisher
Springer Berlin Heidelberg
Page Range
pp. 426-427
Date
2010
Official URL
https://doi.org/10.1007%2F978-3-642-11805-0_47
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