Local and global modes of drug action in biochemical networks

Additional File 1:

Correlation between scope size and total number of drug targets. Each sheet contains a list of drugs identified by their DrugBank accession number, the number of known targets of each drug (including non-metabolic targets) and the size of its metabolic scope. The four sheets correspond to the four metabolic networks analyzed in this paper (reference reversible, reference irreversible, human reversible, human irreversible).

Format: XLS Size: 84KB Download file

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Additional File 2:

Composition of drug clusters. Each sheet contains a list of drugs identified by their DrugBank accession number, and the identifier of the cluster each drug was assigned to. The four sheets correspond to the four metabolic networks analyzed in this paper (reference reversible, reference irreversible, human reversible, human irreversible).

Format: XLS Size: 63KB Download file

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Additional File 3:

Full set of metabolic drug scopes. This archive contains the full set of metabolic drug scopes for 276 drugs from the DrugBank database and four metabolic networks. Individual files in the archive are named according to the following nomenclature: DrugBank accession number of the drug, followed by "_hsa" for human or "_ref" for reference network, followed by "_i" for irreversible or "_r" for reversible network.

Format: ZIP Size: 18.5MB Download file

Additional File 4:

List of drugs and their enzymatic targets sorted by EC numbers. This sheet contains a list of drugs identified by their DrugBank accession number, and the set of known enzymatic targets of each drug identified by Enzyme Commission (EC) numbers. Drugs are sorted by increasing EC numbers, drugs sharing the same set of enzymatic targets are highlighted in color.

Format: XLS Size: 35KB Download file

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