Visualization and Grouping of Graph Patterns in Molecular Databases

Mining subgraphs is an area of research where we have a given set of graphs, and we search for (connected) subgraphs contained in these graphs. In this paper we focus on the analysis of graph patterns where the graphs are molecules and the subgraphs are patterns. In the analysis of fragments one is interested in the molecules in which the patterns occur. This data can be very extensive and in this paper we introduce a technique of making it better available using visualization. The user does not have to browse all the occurrences in search of patterns occurring in the same molecules; instead the user can directly see which subgraphs are of interest.

• Type: Conference
• Year: 2007
• Where: SGAI
• Authors: Edgar H. de Graaf, Walter A. Kosters, Joost N. Kok, Jeroen Kazius
• Keywords: Graph Patterns, Mining Subgraphs, Molecules, SGAI 2007