Overview of Chemical Markup Language (CML)
- Based on XML from WorldWideWeb Consortium
- A W3C-compliant Schema XSD [1]
- Built on STMML (supports arrays, datatypes, units, metadata, etc.)
- CMLCore - micromolecules, atoms, bonds [*]
- CMLReact - reactions (including multistep and mechanisms)
- CMLComp - computational chem (QM, MM/MD, chemoinformatics)
- CMLSpect - spectra
- CMLCryst - crystals, condensed matter (solids, ensembles, etc.)
Based on dictionaries, ontologies
[1]P. Murray-Rust and H. S. Rzepa, J. Chem. Inf. comp. Sci.,, 2003, 43, issue 4.