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

被引：68

作者：

Murray-Rust, P

Rzepa, HS

机构：

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

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

来源：

JOURNAL OF CHEMICAL INFORMATION AND COMPUTER SCIENCES | 2003年 / 43卷 / 03期

关键词：

D O I：

10.1021/ci0256541

中图分类号：

O6 [化学];

学科分类号：

0703 ;

摘要：

A revision to Chemical Markup Language (CML) is presented as a XML Schema compliant form, modularized into nonchemical and chemical components. STMML contains generic concepts for numeric data and scientific units, while CMLCore retains most of the chemical functionality of the original CML 1.0 and extends it by adding handlers for chemical substances, extended bonding models and names. We propose extension via new namespaced components for chemical queries, reactions, spectra, and computational chemistry. The conformance with XML schemas allows much greater control over datatyping, document validation, and structure.

引用

页码：757 / 772

页数：16

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