Chemistry publications in CML

CINF 55

Peter T. Corbett, ptc24@cam.ac.uk, Unilever centre for Molecular Sciences Informatics, Department of Chemistry, Lensfield Road, Cambridge, United Kingdom, Peter Murray-Rust, pm286@cam.ac.uk, Department of Chemistry, Unilever Centre for Molecular Science Informatics, University of Cambridge, Lensfield Road, CB2 1EW Cambridge, United Kingdom, Nick E Day, ned24@cam.ac.uk, Department of Chemistry, Unilever Centre for Molecular Sciences Informatics, Lensfield Road, CB2 1EW Cambridge, United Kingdom, Joe A Townsend, Department of Chemistry, Unilever Centre for Molecular Science Informatics, University of Cambridge, Lensfield Road, Cambridge, CB2 1EW, United Kingdom, and Henry S. Rzepa, h.rzepa@imperial.ac.uk, Department of Chemistry, Imperial College of Science, Technology and Medicine, Exhibition Road, South Kensington, London SW7 2AY, United Kingdom.
Much of the semantics in a chemistry article are now supported by Chemical Markup Language (CML) describable by an XML Schema (XSD). CML can support molecules, structures, reactions and reaction schemes, spectra (including annotations) and physicochemical data. These are supported by dictionaries and lexicons (also in XML) that provide linguistic and semantic support for the markup. Manuscript components can be created either with a range of authoring tools or through linguistic processing of conventional text. The semantics in such papers can now be processed by machine leading to high-throughput information extraction. A major feature is that chemical documents will be quicker to author and have a higher quality of embedded data and structure through machine validation.
 

XML in Chemistry
8:30 AM-11:30 AM, Tuesday, 28 March 2006 Georgia World Congress Center -- B302, Oral

Division of Chemical Information

The 231st ACS National Meeting, Atlanta, GA, March 26-30, 2006