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Chemical Markup, XML, and the Worldwide Web. 1. Basic Principles Peter MurrayRust×, and Henry S. Repay Virtual School of Molecular Sciences, School of Pharmaceutical Sciences, University of Nottingham,
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How to fill out chemical markup XML:

01
Start by understanding the purpose of chemical markup XML. It is a standardized format for representing chemical structures and properties in a machine-readable manner.
02
Familiarize yourself with the XML syntax, tags, and elements used in chemical markup XML. These tags provide specific information about the chemical entities, reactions, and properties.
03
Begin by creating the root element of the XML document. This element should be named "chemml" and will serve as the container for all the chemical information.
04
Add child elements within the "chemml" element to represent different chemical entities or properties. For example, you can use the "molecule" element to describe a single molecule.
05
Within each child element, include relevant sub-elements to provide specific details. For instance, under the "molecule" element, you can add "atoms" and "bonds" sub-elements to define the atom and bond connectivity.
06
Utilize appropriate attributes to further describe the chemical entities. These attributes can include molecular weights, formulas, names, and more.
07
Repeat steps 4 to 6 for each chemical entity or property that you want to include in your XML document.

Who needs chemical markup XML:

01
Scientists and researchers: Chemical markup XML is particularly useful for scientists and researchers working in the fields of chemistry, biochemistry, and materials science. It allows them to store, exchange, and analyze chemical data in a standardized format.
02
Chemical database developers: Developers who create databases or software tools for chemical information management can benefit from chemical markup XML. It provides a structured and interoperable way to represent and store chemical data.
03
Publishers and journals: Publishers and scientific journals often require authors to submit chemical data along with their research papers. Chemical markup XML ensures that the chemical information is well-structured, machine-readable, and can be easily embedded or extracted.
04
Computational chemists and modeling experts: Chemical markup XML can be utilized by computational chemists and modeling experts for inputting and exchanging chemical data between different software tools and simulation frameworks.
In summary, knowing how to fill out chemical markup XML is essential for representing chemical structures and properties in a standardized format. It is particularly valuable to scientists, chemical database developers, publishers, and computational chemists.
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Chemical Markup Language (CML) is an XML-based language for describing chemical information.
Chemists, researchers, and organizations working with chemical data are required to file CML documents.
CML documents can be created using text editors or specialized software that supports XML formatting.
CML is used to store and exchange chemical information in a structured format.
Chemical formulas, structures, properties, and reactions are commonly reported in CML documents.
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