Review



automapper 5.0.1  (ChemAxon LLC)

 
  • Logo
  • About
  • News
  • Press Release
  • Team
  • Advisors
  • Partners
  • Contact
  • Bioz Stars
  • Bioz vStars
    • 90
      Buy from Supplier

    Structured Review

    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
    90/100 stars

    Images

    1) Product Images from "Comparative evaluation of atom mapping algorithms for balanced metabolic reactions: application to Recon 3D"

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

    Journal: Journal of Cheminformatics

    doi: 10.1186/s13321-017-0223-1

    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 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
    Figure Legend 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

    Techniques Used:

    Number of evaluated reactions per algorithm
    Figure Legend Snippet: Number of evaluated reactions per algorithm

    Techniques Used:

    Comparison of technical features
    Figure Legend Snippet: Comparison of technical features

    Techniques Used: Comparison

    Comparison of advanced features
    Figure Legend Snippet: Comparison of advanced features

    Techniques Used: Comparison



    Similar Products

    automapper 5.0.1  (ChemAxon LLC)
    90
    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
    90/100 stars
    		  Buy from Supplier

    Image Search Results


    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