Pack: Mapping Metabolites for Metabolic Network Reconstructions

Created: 2010-06-03 11:43:43      Last updated: 2010-06-03 11:47:16
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Title: Mapping Metabolites for Metabolic Network Reconstructions


Information Description

The process of metabolic network reconstructions typically begins with the task of collating existing information. For metabolites this poses a relatively straight forward set of cheminformatics problems.

These problems include finding identical structures across sources, which is trivial, but also structures that differ due to idiosyncrasies of the sources or annotators. This includes charge differences, varying stereochemistry, tautomers, and so forth. Workflows in this pack allow sets of metabolites to be approximately matched with these concerns in mind.

Workflow C1 implements all other workflows in one. Unless you have a specific reason to use them one at a time, this is probably what you want.

These workflows drove metabolomic parts of the Yeast Metabolic Network Jamboree.

 

A valid Pipeline Pilot license may be required.

Subscribe to RSS feed for items in this pack feed Download Information Items (6)

  • Internal item

    Workflow: C1 Combined Workflow (Paul Dobson)

    Added by Paul Dobson ... more than 1 year ago (2010-06-03 11:45:32)

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  • Internal item

    Workflow: M1 Exact Matching (Paul Dobson)

    Added by Paul Dobson ... more than 1 year ago (2010-06-03 11:44:50)

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  • Internal item

    Workflow: M2 Similarity Matching (Paul Dobson)

    Added by Paul Dobson ... more than 1 year ago (2010-06-03 11:45:01)

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  • Internal item

    Workflow: M3 Non-stereo Matching (Paul Dobson)

    Added by Paul Dobson ... more than 1 year ago (2010-06-03 11:45:08)

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  • Internal item

    Workflow: M4 Tautomer Matching (Paul Dobson)

    Added by Paul Dobson ... more than 1 year ago (2010-06-03 11:45:15)

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  • Internal item

    Workflow: M5 Charge Matching (Paul Dobson)

    Added by Paul Dobson ... more than 1 year ago (2010-06-03 11:45:24)

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