Correcting ligands, metabolites, and pathways |
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Authors: | Martin A Ott and Gert Vriend |
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Institution: | (1) Centre for Molecular and Biomolecular Informatics, Nijmegen Centre for Molecular Life Sciences, Radboud University Nijmegen, P.O. Box 9010, 6500 GL Nijmegen, The Netherlands |
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Abstract: | Background A wide range of research areas in bioinformatics, molecular biology and medicinal chemistry require precise chemical structure
information about molecules and reactions, e.g. drug design, ligand docking, metabolic network reconstruction, and systems biology. Most available databases, however, treat
chemical structures more as illustrations than as a datafield in its own right. Lack of chemical accuracy impedes progress
in the areas mentioned above. We present a database of metabolites called BioMeta that augments the existing pathway databases
by explicitly assessing the validity, correctness, and completeness of chemical structure and reaction information. |
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Keywords: | |
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