Publications in International Journals / Series (Conference Paper (International))

A critical evaluation of automatic atom mapping algorithms and tools

  • Advances in Intelligent Systems and Computing, 616 (PACBB 2017), 257-264, 2017

Publisher: Springer

Abstract

The identification of the atoms which change their position in chemical reactions is an important knowledge within the field of Metabolic Engineering. This can lead to new advances at different levels from the reconstruction of metabolic networks to the classification of chemical reactions, through the identification of the atomic changes inside a reaction. The Atom Mapping approach was initially developed in the 1960s, but recently suffered important advances, being used in diverse biological and biotechnological studies. The main methodologies used for atom mapping are the Maximum Common Sub ...

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