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2012 23rd International Workshop on Database and Expert Systems Applications (2006)
Krakow, Poland
Sept. 4, 2006 to Sept. 8, 2006
ISSN: 1529-4188
ISBN: 0-7695-2641-1
pp: 598-602
Hugh M. Cartwright , Oxford University, UK
Les Sztandera , Philadelphia University, U.S.A
Rohan M Gunatillake , Oxford University, UK
A crucial task in polymer chemistry is the formulation of materials which satisfy strict property constraints. This paper describes the use of dynamic adaptive agents in the design of novel polymers. A neural network is used to predict the properties of a proposed polymer from its composition, while a genetic algorithm solves the inverse problem by acting as a search agent to find promising formulations. The resulting Hybrid Intelligent System provides a computationally efficient means of searching the virtual space defined by the set of all feasible polymers. We report here results from two initial studies.
Hugh M. Cartwright, Les Sztandera, Rohan M Gunatillake, "Genetic Algorithms and Neural Networks in the Molecular Design of Novel Fibers", 2012 23rd International Workshop on Database and Expert Systems Applications, vol. 00, no. , pp. 598-602, 2006, doi:10.1109/DEXA.2006.64
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