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Open Access Research article

Quantitative global studies of reactomes and metabolomes using a vectorial representation of reactions and chemical compounds

Juan C Triviño12 and Florencio Pazos1*

Author Affiliations

1 Computational Systems Biology Group, National Centre for Biotechnology (CNB-CSIC), C/Darwin, 3, Cantoblanco, 28049 Madrid, Spain

2 Genomics Unit, National Centre for Biotechnology (CNB-CSIC), C/Darwin, 3, Cantoblanco, 28049 Madrid, Spain

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BMC Systems Biology 2010, 4:46  doi:10.1186/1752-0509-4-46

Published: 20 April 2010

Additional files

Additional file 1:

Correlation between experimental and predicted molecular weight (MW) and total polar surface area (TPSA).

Format: DOC Size: 770KB Download file

This file can be viewed with: Microsoft Word Viewer

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Additional file 2:

UPGMA tree of reaction vectors, in newick format. This file can be viewed with most phylogenetic tree viewers, including the on-line tool iTol (http://itol.embl.de).

Format: NW Size: 34KB Download file

Open Data

Additional file 3:

File with the information needed for coloring the tree "Add2_UPGMA.nw" in iTOL (itol.embl.de) according to EC number.

Format: TXT Size: 19KB Download file

Open Data

Additional file 4:

Keywords associated with the 21 clusters.

Format: XLS Size: 150KB Download file

This file can be viewed with: Microsoft Excel Viewer

Open Data