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:

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:

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

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

Journal: Scientific Reports

Article Title: His bundle pacing guided by automated intrinsic morphology matching is feasible in patients with narrow QRS complexes

doi: 10.1038/s41598-022-07516-6

Figure Lengend Snippet: Diagnostic pace mapping. ( A ) The distal electrodes of a steerable mapping catheter were positioned at the distal His area as indicated by the second intrinsic beat (*). Local pacing with reduced pacing amplitude from 10 mA@1 ms to 5 mA resulted in the transition from NS-His capture to S-HBP ( † ). By comparing the paced morphology with the intrinsic QRS complex beat to beat the AutoMap module, the loss of local myocardial capture (S-HBP) indicated a jump in the intrinsic morphology match score from 86% (not shown) to 97% (red box). Note that in addition to the “global” IMS for the 12-lead ECG, the algorithm calculates the morphology match for every single lead ( ‡ ). ( B ) IMS map using the cutoff values found in the study. The ECGs show an intrinsic beat during initially ineffective pacing followed by a paced morphology with an IMS of 92%, indicating S-HBP on the left (LAO) compared with NS-HBP on the right (postero-lateral view). 12-lead surface electrogram; ROV CS, mapping catheter, distal electrodes.

Article Snippet: The EnSite AutoMap Module with automated surface ECG morphology matching capability (Abbott) provides automatic point collection based on operator-defined settings.

Techniques: Diagnostic Assay

Journal: The Journal of Innovations in Cardiac Rhythm Management

Article Title: Fluoroless Rapid Mapping and Catheter Ablation of Intra-atrial Reentry Tachycardia in a Patient with Mustard Operation Using the Ensite™ Precision™ Electroanatomic Mapping System

doi: 10.19102/icrm.2017.080901

Figure Lengend Snippet: LAT map of IART with the EnSite™ Precision™ mapping system (Abbott Laboratories, Chicago, IL, USA). Note the “early” (white/red) mid-atrial diastolic region just behind the mitral annulus. This image also captures the automap settings (inset).

Article Snippet: The EnSiteTM AutoMap module (Abbott Laboratories, Chicago, IL, USA) has parameter settings that aid in obtaining voltage and LAT rapidly and accurately, and in eliminating the need for post-collection manual refinement ( , inset).

Techniques: