Input functionality to upload information on lipid species

[tnaake]

We need user-friendly functions to tell LipidNetworkPredictR which lipid species to use for the construction of the network.

The RHEA database contains several resources that might help here. Of particular interest are the files

• rhea-reaction-smiles.tsv: provides RHEA reaction to product/substrate connections/mappings
• rhea-directions.tsv: provides information on the directionality of the RHEA reaction
• rhea-chebi-smiles.tsv: provides ChEBI to SMILES connections/mappings

Write functions that require from the user input of the lipid species (e.g. in the form of HMDB ids).

[tnaake]

This is implemented in R/id_conversion.R.

Major problems to solve:

Our tool runs with generalized forms of reactions, e.g. RHEA:15421. How to link more specific forms of reactions using actual molecules rather than abstract representations and link these specific forms to the generalized forms of reactions?