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