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

Table 1 Number of evaluated reactions per algorithm

Algorithm	Number of reactions compared	Unmapped reactions
RDT	512	0
DREAM	512	0
AutoMapper	512	0
CLCA	488	24
MWED	477	35
ICMAP	496	16

Due to limited access to some algorithms, we could not predict atom mappings for all 512 manually curated reactions

ISSN: 1758-2946