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Fig. 5 | Journal of Cheminformatics

Fig. 5

From: Comparative evaluation of atom mapping algorithms for balanced metabolic reactions: application to Recon 3D

Fig. 5

An incorrect reaction mechanism predicted by five algorithms. Alanine-glyoxylate transaminase (VMH ID: AGTim) reaction catalyses the chemical transformation of L-alanine (VMH ID: ala_L) and glyoxylate (VMH ID: glx) into pyruvate (VMH ID: pyr) and glycine (VMH ID: gly). The known reaction mechanism of the alanine-glyoxylate transaminase reaction is represented by the manual atom mapping (top). Five algorithms predicted the same incorrect atom mapping for this reaction (bottom) [43]. Only the MWED algorithm predicted correctly

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Journal of Cheminformatics

ISSN: 1758-2946

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