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Research Article

Chemical Markup, XML, and the Worldwide Web. 1. Basic Principles

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Peter Murray-Rust*^† and Henry S. Rzepa^‡

Virtual School of Molecular Sciences, School of Pharmaceutical Sciences, University of Nottingham, U.K., and Department of Chemistry, Imperial College of Science, Technology and Medicine, London SW72AY, U.K.

J. Chem. Inf. Comput. Sci., 1999, 39 (6), pp 928–942

DOI: 10.1021/ci990052b

Publication Date (Web): September 18, 1999

In papers with more than one author, the asterisk indicates the name of the author to whom inquiries about the paper should be addressed.

†

University of Nottingham.

‡

Imperial College of Science, Technology and Medicine.

Abstract

Chemical markup language (CML) is an application of XML, the extensible markup language, developed for containing chemical information components within documents. Its design supports interoperability with the XML family of tools and protocols. It provides a base functionality for atomic, molecular, and crystallographic information and allows extensibility for other chemical applications. Legacy files can be imported into CML without information loss and can carry any desired chemical ontology. Some applications of CML (Markush structures, chemical searching) will be discussed in later articles. An XML document type declaration (DTD) for CML is included as a Chart.

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Published In Issue November 22, 1999
Received May 26, 1999

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Research Article

Chemical Markup, XML, and the Worldwide Web. 1. Basic Principles

Abstract

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SciFinder Links

History

Recommend & Share

Related Content

Chemical Markup, XML and the World-Wide Web. 2. Information Objects and the CMLDOM

Chemical Markup, XML, and the World Wide Web. 4. CML Schema

Chemical Markup, XML, and the World-Wide Web. 3. Toward a Signed Semantic Chemical Web of Trust

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