Engineering polymer informatics

N Adams, P Murray-Rust

OAI: oai:www.repository.cam.ac.uk:1810/196402

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.

chemical markup language polymer informatics polymer markup language polymer ontology structure-property relationships structure WORLD-WIDE-WEB CHEMICAL-REACTION INFORMATION PRIMARY JOURNAL TEXT COMPUTATIONAL-LINGUISTICS TECHNIQUES DRUG-DELIVERY AUTOMATIC INTERPRETATION PATENT ABSTRACTS GENE DELIVERY XML SYSTEMS