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Engineering polymer informatics: Towards the computer-aided design of polymers


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Authors

Adams, N 
Murray-Rust, P 

Abstract

jats:titleAbstract</jats:title>jats:pThe computer‐aided design of polymers is one of the holy grails of modern chemical informatics and of significant interest for a number of communities in polymer science. This paper outlines a vision for the in silico design of polymers and presents an information model based on modern semantic web technologies, thus laying the foundations for achieving the vision.</jats:p>jats:p<jats:boxed-text content-type="graphic" position="anchor"><jats:graphic xmlns:xlink="http://www.w3.org/1999/xlink" mimetype="image/jpeg" position="anchor" specific-use="enlarged-web-image" xlink:href="graphic/mgra001.jpg">jats:alt-textmagnified image</jats:alt-text></jats:graphic></jats:boxed-text> </jats:p>

Description

Keywords

chemical markup language, polymer informatics, polymer markup language, polymer ontology, structure-property relationships, structure, WORLD-WIDE-WEB, CHEMICAL-REACTION INFORMATION, PRIMARY JOURNAL TEXT, COMPUTATIONAL-LINGUISTICS TECHNIQUES, DRUG-DELIVERY, AUTOMATIC INTERPRETATION, PATENT ABSTRACTS, GENE DELIVERY, XML, SYSTEMS

Journal Title

MACROMOL RAPID COMM

Conference Name

Journal ISSN

1022-1336
1521-3927

Volume Title

Publisher

Wiley