Team:Tongji-Software/Model

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• Overview
• Search Algorithm
• Ranking Criteria
• Additional function

Model

Overview
We will introduce how we use knowledge of mathematics and algorithms to implement function of Alpha Ant in details in this section. It consists of three parts, Pathway Search Algorithm, Pathway Ranking Methods and Additional functions.
Pathway Search Algorithm: Depth-first search
Seeking for biosynthesis pathways from the starting material to the product is a typical search problem. We abstracted the original biosynthesis pathway search problem and turned it into a directed graph search problem.
First we built a directed graph that models the transformation of metabolites where its vertices represent metabolites and its edges represent chemical transformations via reactions.
Pathway Ranking Criteria
Additional function algorithm