Chemical Markup, XML, and the World Wide Web. 6. CMLReact, an XML Vocabulary for Chemical Reactions

نویسندگان

  • Gemma L. Holliday
  • Peter Murray-Rust
  • Henry S. Rzepa
چکیده

A set of components (CMLReact) for managing chemical and biochemical reactions has been added to CML. These can be combined to support most of the strategies for the formal representation of reactions. The elements, attributes, and types are formally defined as XMLSchema components, and their semantics are developed. New syntax and semantics in CML are reported and illustrated with 10 examples.

برای دانلود متن کامل این مقاله و بیش از 32 میلیون مقاله دیگر ابتدا ثبت نام کنید

ثبت نام

اگر عضو سایت هستید لطفا وارد حساب کاربری خود شوید

منابع مشابه

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

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. Legac...

متن کامل

MACiE: a database of enzyme reaction mechanisms

SUMMARY MACiE (mechanism, annotation and classification in enzymes) is a publicly available web-based database, held in CMLReact (an XML application), that aims to help our understanding of the evolution of enzyme catalytic mechanisms and also to create a classification system which reflects the actual chemical mechanism (catalytic steps) of an enzyme reaction, not only the overall reaction. ...

متن کامل

Chemical Markup, XML, and the World Wide Web. 5. Applications of Chemical Metadata in RSS Aggregators

Examples of the use of the RSS 1.0 (RDF Site Summary) specification together with CML (Chemical Markup Language) to create a metadata based alerting service termed CMLRSS for molecular content are presented. CMLRSS can be viewed either using generic software or with modular opensource chemical viewers and editors enhanced with CMLRSS modules. We discuss the more automated use of CMLRSS as a com...

متن کامل

6 XML Security

The extensible markup language (XML) is a markup language promoted by the World Wide Web consortium (W3C). XML overcomes the limitations of hypertext markup language (HTML) and represents an important opportunity to solve the problem of protecting information distributed on the Web, with the definition of access restrictions directly on the structure and content of the document. This chapter su...

متن کامل

XML Sets Stage for Efficient Knowledge Management

I T managers use knowledge management (KM) tools to capture, maintain, and exploit strategic information that their companies need to conduct business. This information might consist of data describing operational best practices, tactical marketing results such as assessment of a competitor’s market share, or even the contents of laboratory notebooks. In every case, preserving the data’s contex...

متن کامل

ذخیره در منابع من


  با ذخیره ی این منبع در منابع من، دسترسی به آن را برای استفاده های بعدی آسان تر کنید

برای دانلود متن کامل این مقاله و بیش از 32 میلیون مقاله دیگر ابتدا ثبت نام کنید

ثبت نام

اگر عضو سایت هستید لطفا وارد حساب کاربری خود شوید

عنوان ژورنال:
  • Journal of chemical information and modeling

دوره 46 1  شماره 

صفحات  -

تاریخ انتشار 2006