Development of chemical markup language (CML) as a system for handling complex chemical content

We report the first fully operational system for managing complex chemical content entirely in interoperating XML-based markup languages. This involve s the application of version 1.0 of chemical markup language (CML 1.0) and the development of mechanisms allowing the display of CML marked up molecul es within a standard web browser (Internet Explorer 5). We demonstrate how an extension to include spectra and reactions could be achieved. Integratin g these techniques with existing XML compliant languages (e.g. XHTML and SV G) results in electronic documents with the significant advantages of data retrieval and flexibility over existing HTML/plugin solutions. These docume nts can be optimised for a variety of purposes (e.g. screen display or prin ting) by single XSL stylesheet transformations. An XML schema has been deve loped from the CML 1.0 DTD to allow document validation and the use of data links. A working online demonstration of these concepts, termed ChiMeraL, containing a range of online demonstrations, examples and CML resources suc h as the CML DTD and schema has been associated with this article via the s upplementary material.