Build a data structure for a reaction tree #2031
Labels
Cascade reactions
MMPK
Scope for Pathway reactions, View-only mode, Static images, Custom buttons and Ketcher API changes
Milestone
Develop an algorithm that can build a reaction tree from a list of reactions, using the hash code or the ExactMatch method to match the reactants and products.
AC:
see attached for tests to be added (simple use cases with different input RDF)
tests_reaction_tree.pptx
output can be ket files (without coordinates) or unit test with output each tree
The text was updated successfully, but these errors were encountered: