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

Nico Adams, Peter Murray-Rust
2008 Macromolecular rapid communications  
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. The paper outlines a vision for the in silico design of polymers and presents an information model for polymers based on modern semantic web technologies, thus laying the foundations for achieving the vision.
doi:10.1002/marc.200700832 fatcat:zbkcc4fdhfavzlcsr6b2u2uide