doi:10.1016/S1045-926X(03)00030-2
Copyright © 2003 Elsevier Science Ltd. All rights reserved.
Visual comparison of metabolic pathways
Falk Schreiber
, 
Bioinformatics Center Gatersleben-Halle, Institute of Plant Genetics and Crop Plant Research, Corrensstraße 3, Gatersleben 06466, Germany
Received 20 December 2002;
revised 14 March 2003;
accepted 14 April 2003. ;
Available online 30 May 2003.
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Abstract
Biological databases contain a large amount of data about metabolic pathways, in particular about similar pathways in different species. Biologists are familiar with visual representations of metabolic pathways. Pathway diagrams help them to understand the complex relationships between the components of the pathways, to extract information from the data, and to compare pathways between different species. However, visual interfaces to metabolic pathway databases cannot cope well with the visual comparison of similar pathways in different species.
This paper presents a new approach for the visual comparison of metabolic pathways which uses a graph drawing algorithm. Using layout constraints, identical parts of similar pathways in different species are placed side by side, thereby highlighting similarities and differences between these pathways. This visualization method can be used as a visual interface to databases. It supports different layout styles and has been tested with data obtained from the BioPath system and the KEGG database.
Author Keywords: Metabolic pathways; Pathway comparison; Visualization; Graph drawing; Constraints
Fig. 1. A small part of the Boehringer Biochemical Pathways poster [4]. Different colours are used for metabolic reactions in different organism classes.
Fig. 2. Similar metabolic pathways in different species can be compared by using different colours in a general pathway diagram.
Fig. 3. Separate visualization of the pathways shown in
Fig. 2 (left: in higher plants, middle: in unicellular organisms, right: in animals). This diagram shows similar pathways in these organism classes, however, differences and common parts of these pathways are not obvious.
Fig. 4. This image shows (left) a metabolic reaction and (right) its representation as a directed bipartite graph.
Fig. 6. A visual comparison of the pathways shown in
Fig. 2 using the constraint graph drawing algorithm. The placement of equal substances on the same horizontal layer highlights similar and different parts in these pathways (left: in higher plants, middle: in unicellular organisms, right: in animals).
Fig. 5. This diagram shows the temporary clustering of nodes (compare with
Fig. 6). Step 1 of the graph drawing algorithm places co-substances and enzymes of each reaction with a local drawing style and clusters these nodes into large nodes (shown in grey). In step 2(a) nodes from different sub-graphs, which represent the same substance, are temporarily clustered into one node (shown in black). For example, the three nodes on top of the image are clustered into one large node.
Fig. 7. This pathway diagram shows a comparison of pathways (left) in
Homo sapiens and (right) in
Saccharomyces cerevisiae in the KEGG drawing style.