Chemical Markup Language
Abbreviation: CML
Homepage http://www.xml-cml.org/spec/
Countries that developed this resource United Kingdom
Created in 1995
Taxonomic range
Knowledge Domains
Subjects
How to cite this record FAIRsharing.org: CML; Chemical Markup Language; DOI: https://doi.org/10.25504/FAIRsharing.3mdt9n; Last edited: Jan. 8, 2019, 1:27 p.m.; Last accessed: Jan 28 2021 9:04 a.m.
Record updated: March 15, 2018, 10:26 a.m. by The FAIRsharing Team.
FAQ | http://www.xml-cml.org/documentation/FAQ ... |
help | http://www.xml-cml.org/documentation/ind ... |
Mailing List | CML Mailing list |
schema file | http://www.xml-cml.org/schema/schema24/ |
training | http://www.xml-cml.org/tutorial/ |
Additional Information
Contact | Peter Murray-Rust ORCID |
CML aware tools | http://www.xml-cml.org/tools/software.html |
Conditions of Use
Chemical markup, XML, and the World Wide Web. 4. CML schema
Murray-Rust P, Rzepa HS
J Chem Inf Comput Sci 2003
Reporting Guidelines
No guidelines defined
Terminology Artifacts
No semantic standards defined
Models and Formats
Identifier Schemas
No identifier schema standards defined
Metrics
No metrics standards defined
Rhea is a comprehensive and non-redundant resource of expert-curated chemical and transport reactions of biological interest. Rhea can be used for enzyme annotation, genome-scale metabolic modeling and omics-related analysis. Rhea describes enzyme-catalyzed reactions covering the IUBMB Enzyme Nomenclature list as well as additional reactions, including spontaneously occurring reactions. Rhea is built on ChEBI (Chemical Entities of Biological Interest) ontology of small molecules to describe its reaction participants. Since December 2018, Rhea is the standard for enzyme annotation in UniProt.
Chemical Component Dictionary
The Chemical Component Dictionary is an external reference file describing all residue and small molecule components found in Protein Data Bank entries. It contains detailed chemical descriptions for standard and modified amino acids/nucleotides, small molecule ligands, and solvent molecules. Each chemical definition includes descriptions of chemical properties such as stereochemical assignments, aromatic bond assignments, idealized coordinates, chemical descriptors (SMILES & InChI), and systematic chemical names.
eCrystals
eCrystals is the archive for Crystal Structures generated by the Southampton Chemical Crystallography Group and the EPSRC UK National Crystallography Service. It contains all the fundamental and derived data resulting from a single crystal X-ray structure determination, but excluding the raw images.
This record is not implemented by any policy.
Record Maintainer
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Maintains
Chemical Markup Language (CML) Administrators (Consortium)
Cambridge University, Cambridge, UK (University)