Engineering Polymer Informatics: Towards the Computer-Aided Design of Polymers

Adams, Nico, and Murray-Rust, Peter (2008) Engineering Polymer Informatics: Towards the Computer-Aided Design of Polymers. Macromolecular Rapid Communications, 29 (8). pp. 615-632.

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Abstract

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.

Item ID: 74843
Item Type: Article (Research - C1)
ISSN: 1521-3927
Copyright Information: © 2008 WILEY-VCH Verlag GmbH & Co. KGaA, Weinheim.
Date Deposited: 22 Mar 2024 06:41
FoR Codes: 34 CHEMICAL SCIENCES > 3499 Other chemical sciences > 349999 Other chemical sciences not elsewhere classified @ 100%
SEO Codes: 28 EXPANDING KNOWLEDGE > 2801 Expanding knowledge > 280105 Expanding knowledge in the chemical sciences @ 100%
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