4.7 Article

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

期刊

MACROMOLECULAR RAPID COMMUNICATIONS
卷 29, 期 8, 页码 615-632

出版社

WILEY-V C H VERLAG GMBH
DOI: 10.1002/marc.200700832

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chemical markup language; polymer informatics; polymer markup language; polymer ontology; structure-property relationships; structure

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The 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.

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