Skip to content

Draft: Feature/reaction side cpds

Louison Fresnais requested to merge Feature/reactionSideCpds into develop

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)

Merge request reports

Loading