Computational and Mathematical Methods in Medicine

Research Article

The MATCHIT Automaton: Exploiting Compartmentalization for the Synthesis of Branched Polymers

Algorithm 1

Algorithm to recursively find possible paths of synthesis for a target polymer.
1)  build_reaction_tree()begin
(2)      ← target polymer
(3)      ← root node
(4)     recursion( , )
(5)     return  
(6)  recursion(graph   , node   )begin
(7)     for  each edge     of     do
(8)       ( , ) ← vertices of
(9)       ( , ) ← split ,
(10)       ← estimate_probability , ,
(11)       ← add_child( ,
(12)       ← add_child( , )
(13)       ← add_child( , )
(14)      recursion( , )
(15)      recursion( , )