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Import common-name metabolites in model creation (step 4) #90

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JoshLoecker opened this issue Feb 2, 2023 · 2 comments
Open

Import common-name metabolites in model creation (step 4) #90

JoshLoecker opened this issue Feb 2, 2023 · 2 comments
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priority:normal state:open This is still being planned subsystem:jupyter-notebook Relates to the jupyter notebook subsystem:python Relates to Python files type:feature

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@JoshLoecker
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Movivation

Adding reactions to MADRID can be tedious, because specific reaction names are required.

It would be beneficial to be able to include a common name (i.e., L-glutamine, glutamic acid, etc.) instead of the reaction name currently required by MADRID's model creation step (i.e., EX_gln_L[e])

Using web scraping or an API access for the Human Metabolome Database, it should be possible to obtain reaction information for common-name metabolites

Input

Input would come from a list of common metabolite names

Output

The output would be the reaction listed in HMDB, and saved to an output file. This file can be merged with the default file included in MADRID (i.e., bcell_boundary_rxns.csv).

@JoshLoecker JoshLoecker added priority:normal type:feature state:open This is still being planned subsystem:jupyter-notebook Relates to the jupyter notebook subsystem:python Relates to Python files labels Feb 2, 2023
@JoshLoecker
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@JoshLoecker
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This has been reworked to include a more readable input list, such as follows

Reaction Abbreviation Compartment Minimum Reaction Rate Maximum Reaction Rate
Exchange glc_D Extracellular -100 1000
Demand 15HPETATP Cytosol -1 1000
Sink met_L Internal Membranes -1000 1

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Labels
priority:normal state:open This is still being planned subsystem:jupyter-notebook Relates to the jupyter notebook subsystem:python Relates to Python files type:feature
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