Pack: Mapping Metabolites for Metabolic Network Reconstructions

Created: 2010-06-03 11:43:43      Last updated: 2010-06-03 11:47:16
Information Live view

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)

    moreExpand

  • Internal item

    Workflow: M1 Exact Matching (Paul Dobson)

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

    moreExpand

  • Internal item

    Workflow: M2 Similarity Matching (Paul Dobson)

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

    moreExpand

  • Internal item

    Workflow: M3 Non-stereo Matching (Paul Dobson)

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

    moreExpand

  • Internal item

    Workflow: M4 Tautomer Matching (Paul Dobson)

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

    moreExpand

  • Internal item

    Workflow: M5 Charge Matching (Paul Dobson)

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

    moreExpand



Information Relationships (0)

There are no relationships.



Information Download


Information Creator

6 items in this pack

Information License

All versions of this Pack are not licensed.

Information Tags (7)

Log in to add Tags

Information Shared with Groups (0)

None

Information Featured In Packs (0)

None

Log in to add to one of your Packs

Information Favourited By (0)

No one

Information Statistics

2163 viewings

621 downloads

[ see breakdown ]

 



Comments Comments (0)

No comments yet

Log in to make a comment


What is this?

Linked Data

Non-Information Resource URI: http://www.myexperiment.org/packs/121


Alternative Formats

HTML
RDF
XML