17th International Workshop on Database and Expert Systems Applications (DEXA'06) (2006)
Sept. 4, 2006 to Sept. 8, 2006
DOI Bookmark: http://doi.ieeecomputersociety.org/10.1109/DEXA.2006.64
Hugh M. Cartwright , Oxford University, UK
Rohan M Gunatillake , Oxford University, UK
Les Sztandera , Philadelphia University, U.S.A
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, Rohan M Gunatillake, Les Sztandera, "Genetic Algorithms and Neural Networks in the Molecular Design of Novel Fibers", 17th International Workshop on Database and Expert Systems Applications (DEXA'06), vol. 00, no. , pp. 598-602, 2006, doi:10.1109/DEXA.2006.64