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Chemical markup, XML and the World-Wide Web. 2. Information objects and the CMLDOM.

P Murray-Rust1, H S Rzepa

  • 1Virtual School of Molecular Sciences, School of Pharmaceutical Sciences, University of Nottingham, London SW7 2AY, U.K. pm286@cam.ac.uk

Journal of Chemical Information and Computer Sciences
|October 18, 2001
PubMed
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A structured method represents chemistry online using object-oriented programming. This approach, based on Chemical Markup Language (CML), enables the creation of advanced chemical tools.

Area of Science:

  • Computational chemistry
  • Web technologies
  • Information science

Background:

  • The World-Wide Web lacks standardized methods for representing chemical information.
  • Object-oriented approaches offer robust frameworks for data modeling.

Purpose of the Study:

  • To develop a structured, object-oriented method for representing chemical data on the web.
  • To leverage Chemical Markup Language (CML) for creating a chemistry-specific Document Object Model (DOM).

Main Methods:

  • Utilized an object-oriented paradigm to design information objects for chemical representation.
  • Developed a Document Object Model (DOM) for chemistry, grounded in Chemical Markup Language (CML).

Main Results:

  • Successfully created a structured CML-based DOM for chemistry.

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  • Demonstrated the applicability of the CMLDOM in developing chemical tools.

    • Conclusions:

    • The CMLDOM provides a standardized and efficient way to represent chemical information online.
    • This structured approach facilitates the development of novel chemical software and web applications.