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Add exchange rxns - #123

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haowang-bioinfo merged 12 commits into
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addExchangeRxns
Sep 20, 2019
Merged

Add exchange rxns#123
haowang-bioinfo merged 12 commits into
develfrom
addExchangeRxns

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@JonathanRob

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Main improvements in this PR:

[Addresses Issue #117]

Exchange reactions are added for four metabolites that are present in the extracellular compartment, but do not currently have exchange reactions transporting them to/from the boundary. These changes are implemented with the curateExchangeRxns2.m script.

The four metabolites for which exchange reactions are added:

  1. 20-hydroxy-arachidonate
  2. chenodiol
  3. LacCer pool
  4. Chylomicron Lipoprotein

In addition, the script addresses the issue of five reactions that involve transport between the boundary compartment and a non-extracellular compartment. The reaction IDs are:

  1. HMR_9736
  2. xenobiotics
  3. arachidonates
  4. steroids
  5. others

Information on the new reactions added to the model is contained in the newExchangeRxns.tsv file.

I hereby confirm that I have:

  • Tested my code on my own computer for running the model
  • Selected devel as a target branch

@JonathanRob

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This PR also demonstrates the use of the new docModelChanges and writeModelChanges functions introduced in PR #118.

@haowang-bioinfo

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@JonathanRob this PR looks good.

Would it be better to name the files according to the targeted issue? For example, change filename from newExchangeRxns.tsv to newExchangeRxns_issue117.tsv, and curateExchangeRxns2.m to curateExchangeRxns_issue117.

@JonathanRob

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@Hao-Chalmers I think that's a good idea. It would make it quite clear which files are associated with which issues/changes.

@haowang-bioinfo

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This PR actually adds 8 exchange rxns that are claimed for addressing #117, where there are only 4 exchange rxns were proposed. It would thus be necessary to also mention the other changes (mets and exchange/transport rxns) in #117.

@JonathanRob

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@Hao-Chalmers Yes, this PR adds more exchange reactions than the 4 discussed in #117, but these are added for a different reason (as explained in the description of this PR).

The 4 exchange reactions discussed in #117 are to allow exchange of metabolites that are in the extracellular compartment, but do not currently have exchange reactions to/from the boundary. The other exchange reactions added in this PR are for a separate problem, where metabolites are being transported to/from the boundary from a non-extracellular compartment. Since this was not the topic of #117, I don't think there's a need to discuss these other reaction changes there.

@JonathanRob JonathanRob mentioned this pull request Sep 19, 2019
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2 participants