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

被引：18

作者：

Adams, Nico ^{[1
]}

Winter, Jerry ^{[2
]}

Murray-Rust, Peter ^{[1
]}

Rzepa, Henry S. ^{[3
]}

机构：

[1] Univ Cambridge, Univ Chem Lab, Unilever Ctr Mol Sci Informat, Cambridge CB2 1EW, England

[2] Unilever HPC R&D Port Sunlight, Phys & Chem Insights Grp, Wirral CH63 3JW, Merseyside, England

[3] Univ London Imperial Coll Sci Technol & Med, Dept Chem, London SW7 2AZ, England

来源：

JOURNAL OF CHEMICAL INFORMATION AND MODELING | 2008年 / 48卷 / 11期

关键词：

D O I：

10.1021/ci8002123

中图分类号：

R914 [药物化学];

学科分类号：

100701 ;

摘要：

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.

引用

页码：2118 / 2128

页数：11

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