Chemical Markup Language
How to cite this record: FAIRsharing.org: CML; Chemical Markup Language; DOI: https://doi.org/10.25504/FAIRsharing.3mdt9n; Last edited: March 15, 2018, 11:54 a.m.; Last accessed: Apr 20 2018 10:42 p.m.
|CML aware tools||http://www.xml-cml.org/tools/software.html|
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Rhea is a comprehensive and non-redundant resource of expert-curated biochemical reactions designed for the functional annotation of enzymes and the description of metabolic networks. Rhea describes enzyme-catalyzed reactions covering the IUBMB Enzyme Nomenclature list as well as additional reactions, including spontaneously occurring reactions, using entities from the ChEBI (Chemical Entities of Biological Interest) ontology of small molecules.
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 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.
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