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

被引:21
作者
Adams, Nico [1 ]
Murray-Rust, Peter [1 ]
机构
[1] Univ Cambridge, Unilever Ctr Mol Sci Informat, Univ Chem Lab, Cambridge CB2 1EW, England
关键词
chemical markup language; polymer informatics; polymer markup language; polymer ontology; structure-property relationships; structure;
D O I
10.1002/marc.200700832
中图分类号
O63 [高分子化学(高聚物)];
学科分类号
070305 ; 080501 ; 081704 ;
摘要
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.
引用
收藏
页码:615 / 632
页数:18
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