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Maintenance - Mise à jour mensuelle Lundi 6 Février entre 7h00 et 9h00

  • metexploremetexplore
  • met4jmet4j
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Draft: Feature/reaction side cpds

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Open Louison Fresnais requested to merge Feature/reactionSideCpds into develop Oct 12, 2022
  • Overview 1
  • Commits 8
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  • Changes 3

Objectives of this MR:

  • Compute Reaction Specific Side compounds
  • Overload the getReactionGraph method to take into account reaction-wise cofactors

Work in progress:

  • Optimisation/Architecture
  • Unit tests

The side compound identification strategy is up to discussion because to be able to also consider compounds implicated in spurious edges I had to turn the problem upside down: 1: For each reaction, identify the compounds implicated in Main edges as Main compounds 2: Consider all other compounds of this reaction as Side compounds (All compounds - Main compounds)

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Source branch: Feature/reactionSideCpds