June 20, 2016

BioHIT PRESENTATION | Approaches to the atom mapping problem: A review | Eleni Litsa

SKEL PhD candidate, Eleni Litsa will present “Approaches to the atom mapping problem: A review ” on Wednesday 29/6.

Abstract

A chemical reaction is a transformation converting reactants into products. The transformation consists of bond breakages and bond formations in reactants. The total number and the type of atoms are preserved during the reaction. Thus, there is a one to one correspondence between the atoms in reactants and the atoms in products. The atom mapping problem consists of finding this correspondence. If each chemical compound is represented by a graph structure then the atom mapping problem can be seen as a graph matching problem. This presentation is a review on the approaches to the atom mapping problem.

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