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Issue 22, 2004
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Enabling the exploration of biochemical pathways

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Abstract

The Biochemical Pathways Wall Chart (http://www.expasy.org/tools/pathways/) has been converted into a molecule and reaction database. Major features of this database are that each molecule is represented by lists of all atoms and bonds (as connection tables), and in the reactions the reaction centre, the atoms and bonds directly involved in the bond rearrangement process, are marked. The information in the database has been enriched by a set of diverse 3D structure conformations generated by the programs CORINA and ROTATE. The web-based structure and reaction retrieval system C@ROL provides a wide range of search methods to mine this rich database. The database is accessible at http://www2.chemie.uni-erlangen.de/services/biopath/index.html and http://www.mol-net.de/databases/biopath.html

Graphical abstract: Enabling the exploration of biochemical pathways

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Publication details

The article was received on 19 Jul 2004, accepted on 17 Sep 2004 and first published on 22 Oct 2004


Article type: Paper
DOI: 10.1039/B410949J
Citation: Org. Biomol. Chem., 2004,2, 3226-3237
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    Enabling the exploration of biochemical pathways

    M. Reitz, O. Sacher, A. Tarkhov, D. Trümbach and J. Gasteiger, Org. Biomol. Chem., 2004, 2, 3226
    DOI: 10.1039/B410949J

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