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ChemAxon LLC automapper user's guide
Automapper User's Guide, 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/automapper+user+s+guide/pm40019281-451-5-5
Average 90 stars, based on 1 article reviews
automapper user's guide - by Bioz Stars, 2026-10
90/100 stars

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other:

Article Title: Comparative evaluation of atom mapping algorithms for balanced metabolic reactions: application to Recon 3D
Article Snippet: Finally, AutoMapper has a user-friendly interface and is part of a large suite of useful chemical informatics tools provided by ChemAxon.

Article Title: Models for identification of erroneous atom-to-atom mapping of reactions performed by automated algorithms.
Article Snippet: Machine learning (SVM and JRip rule learner) methods have been used in conjunction with the Condensed Graph of Reaction (CGR) approach to identify errors in the atom-to-atom mapping of chemical reactions produced by an automated mapping tool by ChemAxon.. The modeling has been performed on for the three first enzymatic classes of metabolic reactions from the KEGG database.. Each reaction has been converted into a CGR representing a pseudomolecule with conventional (single, double, aromatic, etc.) bonds and dynamic bonds characterizing chemical transformations.

Article Title: Comparative evaluation of atom mapping algorithms for balanced metabolic reactions: application to Recon 3D
Article Snippet: AutoMapper [ ] (ChemAxon, Budapest, Hungary) uses two approaches to predict atom mapping: maximum common substructure (MCS) and minimum chemical distance (MCD).

Article Title: Prediction and Interpretable Visualization of Retrosynthetic Reactions Using Graph Convolutional Networks.
Article Snippet: Recently, many research groups have been addressing data-driven approaches for (retro)synthetic reaction prediction and retrosynthetic analysis.. Although the performances of the data-driven approach have progressed due to recent advances of machine learning and deep learning techniques, problems such as improving capability of reaction prediction and the black-box problem of neural networks persist for practical use

Article Title: Atom-to-atom Mapping: A Benchmarking Study of Popular Mapping Algorithms and Consensus Strategies.
Article Snippet: In this paper, we compare the most popular AAM tools: Automapper (ChemAxon),[1] Indigo,[2] RDTool,[3] NameRXN (NextMove),[4] and RXNMapper[5] which implement different AAM algorithms.

Labeling:

Article Title: Metabolic flux analysis reaching genome wide coverage: lessons learned and future perspectives
Article Snippet: C-MFA is currently the only technique capable of elucidating intracellular metabolic fluxes.. Generally, in C-MFA studies the reactions that can carry flux are mostly pre-specified by only considering canonical pathways and ignoring alternate ones.. This may bias flux elucidation and cause labeling data to erroneously confirm implied assumptions.



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