Chemical Markup, XML and the World-Wide Web. 8. Polymer Markup Language

Adams, Nico;Winter, Jerry;Murray-Rust, Peter;Rzepa, Henry S.

Abstract

Polymers are among the most important classes of materials but are only inadequately supported by modern informatics. The paper discusses the reasons why polymer informatics is considerably more challenging than small molecule informatics and develops a vision for the computer-aided design of polymers, based on modern semantic web technologies. The paper then discusses the development of Polymer Markup Language (PML). PML is an extensible language, designed to support the (structural) representation of polymers and polymer-related information. PML closely interoperates with Chemical Markup Language (CML) and overcomes a number of the previously identified challenges.

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Journal of Chemical Information and Modeling

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1549-960X

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American Chemical Society

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DOI

10.1021/ci8002123