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Chemical Markup, XML, and the World Wide Web. 6. CMLReact, an XML Vocabulary for Chemical Reactions

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What this work says

Outgoing claims: the papers this work cites, builds on, or argues with.

inferredcites →https://doi.org/10.1002/0470845015openalex-snapshot
Encyclopedia of Computational Chemistry
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Handbook of Chemoinformatics
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A formalism for the classification and design of organic reactions. I. The class of (− +)nreactions
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Descriptions of reactions: Their logic and applications
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Structure and Mechanism in Organic Chemistry
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SYMBEQ Program and Its Application in Computer-Assisted Reaction Design
inferredcites →https://doi.org/10.1021/ci000404aopenalex-snapshot
Chemical Markup, XML and the World-Wide Web. 2. Information Objects and the CMLDOM
inferredcites →https://doi.org/10.1021/ci025584yopenalex-snapshot
The Chemistry Development Kit (CDK): An Open-Source Java Library for Chemo- and Bioinformatics
inferredcites →https://doi.org/10.1021/ci0256541openalex-snapshot
Chemical Markup, XML, and the World Wide Web. 4. CML Schema
inferredcites →https://doi.org/10.1039/b410732bopenalex-snapshot
Representation and use of chemistry in the global electronic age
inferredcites →https://doi.org/10.1080/08927020500065850openalex-snapshot
CML tools and information flow in atomic scale simulations
inferredcites →https://doi.org/10.1186/1471-2105-6-10openalex-snapshot
Modelling the correlation between the activities of adjacent genes in drosophila
inferredcites →https://doi.org/10.1186/1471-2105-6-141openalex-snapshot
Chemistry in Bioinformatics
inferredcites →https://doi.org/10.1186/1471-2105-6-s3-p10openalex-snapshot
Text-mining, milk proteins and nutraceutical potential – the MilkER project
inferredcites →https://doi.org/10.3390/50100093openalex-snapshot
JChemPaint - Using the Collaborative Forces of the Internet to Develop a Free Editor for 2D Chemical Structures

What points at this work

Incoming claims: where this work appears in other papers’ reference lists and arguments.

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Representation of Chemical Reactions
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Representation of Chemical Reactions
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Unbalanced chemical equations conversion to mark‐up format and representation to vision impaired students
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Representation of chemical structures
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Polymer Informatics
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Chaining Data and Visualization Web Services for Decision Making in Information Systems
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Representation, Fingerprinting, and Modelling of Chemical Reactions
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Chemical Data Formats, Fingerprints, and Other Molecular Descriptions for Database Analysis and Searching
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A novel storage method for near infrared spectroscopy chemometric models
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Computational modelling of mechanical properties for new polymeric materials with high molecular weight
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From database to knowledge graph — using data in chemistry
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Chapter 7 Achieving a Holistic Web in the Chemistry Curriculum
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Metabolite Identification Using Automated Comparison of High-Resolution Multistage Mass Spectral Trees
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Data-Driven Learning Systems for Chemical Reaction Prediction: An Analysis of Recent Approaches
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Design and Development of Chemical Ontologies for Reaction Representation
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Integrating Medicinal Chemistry, Organic/Combinatorial Chemistry, and Computational Chemistry for the Discovery of Selective Estrogen Receptor Modulators with F orecaster , a Novel Platform for Drug Discovery
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Web Service Infrastructure for Chemoinformatics
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Chemical Markup, XML, and the World Wide Web. 7. CMLSpect, an XML Vocabulary for Spectral Data
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Ontology Aided Modeling of Organic Reaction Mechanisms with Flexible and Fragment Based XML Markup Procedures
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Chemical Markup, XML and the World-Wide Web. 8. Polymer Markup Language
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XML in Motion from Genome to Drug
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Chemical information matters: an e-Research perspective on information and data sharing in the chemical sciences
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Molecular Chemometrics
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MACiE: a database of enzyme reaction mechanisms
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Elemental composition determination based on MSn
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A strategy for large-scale comparison of evolutionary- and reaction-based classifications of enzyme function
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MACiE (Mechanism, Annotation and Classification in Enzymes): novel tools for searching catalytic mechanisms
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Rhea—a manually curated resource of biochemical reactions
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Updates in Rhea—a manually curated resource of biochemical reactions
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Updates in Rhea – an expert curated resource of biochemical reactions
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A user-orientated approach to provenance capture and representation forin silicoexperiments, explored within the atmospheric chemistry community
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XMPP for cloud computing in bioinformatics supporting discovery and invocation of asynchronous web services
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Is EC class predictable from reaction mechanism?
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Communication and re-use of chemical information in bioscience
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ChemicalTagger: A tool for semantic text-mining in chemistry
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Open Babel: An open chemical toolbox
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The semantics of Chemical Markup Language (CML) for computational chemistry : CompChem
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Ambit-SMIRKS: a software module for reaction representation, reaction search and structure transformation
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Converting Biomolecular Modelling Data Based on an XML Representation
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UDM (Unified Data Model) for chemical reactions – past, present and future
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A semantically enabled framework for small molecule metabolic fate prediction : the Web as a biochemical reactor
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Biomimetic molecular design tools that learn, evolve, and adapt
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Accelerating Biomedical Research through Semantic Web Services
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Accelerating Biomedical Research through Semantic Web Services
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Unified Data Access/Query over Integrated Data-views for Decision Making in Geographic Information Systems
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Accelerating Biomedical Research through Semantic Web Services
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Chemical reactions in CML
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Creating CMLReact from UsefulChem Ugi Reactions
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Creating CMLReact from UsefulChem Ugi Reactions
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First ChEBI workshop, Day Two
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CDK 1.3.3: the changes
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CDK 1.3.3: the changes
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Opensource Chemistry and Opensource Chemoinformatics
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Opensource Chemistry and Opensource Chemoinformatics
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Chemical reactions in CML
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Conception des triacylglycérides à propriétés contrôlées : formulation et modélisation
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Predictive models for kinetic and thermodynamic parameters of reactions
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Designing Universal Chemical Markup (UCM) through the reusable methodology based on analyzing existing related formats
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