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automapper 5.0.1  (ChemAxon LLC)
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ChemAxon LLC automapper 5.0.1
Atom mapping predictions for the enolase reaction. All six compared algorithms returned an accurate atom mapping but included different types of additional information. CLCA and MWED identify equivalent atoms in the reactants ( blue ). DREAM and <t>AutoMapper</t> map hydrogen atoms ( yellow ). RDT, CLCA, ICMAP and MWED all identify reaction centres ( green ). Unlike the other three algorithms, MWED does not identify reaction centres by adding information to the bonds that break and form. Instead, it assigns different colours to the molecular substructures (moieties) that break apart or bind together. The atom mapped reactions are visualised with MarvinView (ChemAxon, Budapest, Hungary), which accepts the RXN and SMILES formats as input
Automapper 5.0.1, supplied by ChemAxon LLC, used in various techniques. Bioz Stars score: 90/100, based on 1 PubMed citations. ZERO BIAS - scores, article reviews, protocol conditions and more
https://www.bioz.com/product/automapper+5%2E0%2E1/pmc05471289-47-26-31?v=ChemAxon+LLC
Average 90 stars, based on 1 article reviews
automapper 5.0.1 - by Bioz Stars, 2026-07
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Atom mapping predictions for the enolase reaction. All six compared algorithms returned an accurate atom mapping but included different types of additional information. CLCA and MWED identify equivalent atoms in the reactants ( blue ). DREAM and AutoMapper map hydrogen atoms ( yellow ). RDT, CLCA, ICMAP and MWED all identify reaction centres ( green ). Unlike the other three algorithms, MWED does not identify reaction centres by adding information to the bonds that break and form. Instead, it assigns different colours to the molecular substructures (moieties) that break apart or bind together. The atom mapped reactions are visualised with MarvinView (ChemAxon, Budapest, Hungary), which accepts the RXN and SMILES formats as input

Journal: Journal of Cheminformatics

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

doi: 10.1186/s13321-017-0223-1

Figure Lengend Snippet: Atom mapping predictions for the enolase reaction. All six compared algorithms returned an accurate atom mapping but included different types of additional information. CLCA and MWED identify equivalent atoms in the reactants ( blue ). DREAM and AutoMapper map hydrogen atoms ( yellow ). RDT, CLCA, ICMAP and MWED all identify reaction centres ( green ). Unlike the other three algorithms, MWED does not identify reaction centres by adding information to the bonds that break and form. Instead, it assigns different colours to the molecular substructures (moieties) that break apart or bind together. The atom mapped reactions are visualised with MarvinView (ChemAxon, Budapest, Hungary), which accepts the RXN and SMILES formats as input

Article Snippet: Six academic and commercially available atom mapping algorithms were included in our evaluation Reaction Decoder Tool (RDT, [ ]), Determination of Reaction Mechanisms (DREAM, [ ]), AutoMapper 5.0.1 (AutoMapper, [ ], ChemAxon, Budapest, Hungary), Canonical Labeling for Clique Approximation (CLCA, [ ]), Minimum Weighted Edit-Distance (MWED, [ ]) within Pathway Tools, and InfoChem-Map (ICMAP, [ ], InfoChem, Munich, Germany).

Techniques:

Number of evaluated reactions per algorithm

Journal: Journal of Cheminformatics

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

doi: 10.1186/s13321-017-0223-1

Figure Lengend Snippet: Number of evaluated reactions per algorithm

Article Snippet: Six academic and commercially available atom mapping algorithms were included in our evaluation Reaction Decoder Tool (RDT, [ ]), Determination of Reaction Mechanisms (DREAM, [ ]), AutoMapper 5.0.1 (AutoMapper, [ ], ChemAxon, Budapest, Hungary), Canonical Labeling for Clique Approximation (CLCA, [ ]), Minimum Weighted Edit-Distance (MWED, [ ]) within Pathway Tools, and InfoChem-Map (ICMAP, [ ], InfoChem, Munich, Germany).

Techniques:

Comparison of technical features

Journal: Journal of Cheminformatics

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

doi: 10.1186/s13321-017-0223-1

Figure Lengend Snippet: Comparison of technical features

Article Snippet: Six academic and commercially available atom mapping algorithms were included in our evaluation Reaction Decoder Tool (RDT, [ ]), Determination of Reaction Mechanisms (DREAM, [ ]), AutoMapper 5.0.1 (AutoMapper, [ ], ChemAxon, Budapest, Hungary), Canonical Labeling for Clique Approximation (CLCA, [ ]), Minimum Weighted Edit-Distance (MWED, [ ]) within Pathway Tools, and InfoChem-Map (ICMAP, [ ], InfoChem, Munich, Germany).

Techniques: Comparison

Comparison of advanced features

Journal: Journal of Cheminformatics

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

doi: 10.1186/s13321-017-0223-1

Figure Lengend Snippet: Comparison of advanced features

Article Snippet: Six academic and commercially available atom mapping algorithms were included in our evaluation Reaction Decoder Tool (RDT, [ ]), Determination of Reaction Mechanisms (DREAM, [ ]), AutoMapper 5.0.1 (AutoMapper, [ ], ChemAxon, Budapest, Hungary), Canonical Labeling for Clique Approximation (CLCA, [ ]), Minimum Weighted Edit-Distance (MWED, [ ]) within Pathway Tools, and InfoChem-Map (ICMAP, [ ], InfoChem, Munich, Germany).

Techniques: Comparison