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Chemcial Industry and Engineering 2002, Vol. 19 Issue (1) :113-118    DOI:
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Primary Study on Molecule Design Based on Genetic Algorithm
LI Chun-li,GUO Zhang-hong,YANG Zhen-sheng (Institute of Chemical Engineering ,Hebei University of Technology,Tianjin 300130,China)
(Institute of Chemical Engineering ,Hebei University of Technology,Tianjin 300130,China

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Abstract The paper presents a novel Computer-aided molecular design (CAMD) method based on genetic algorithm.The code scheme is established on the basis of UNIFAC groups.Besides modifying selection,crossover and mutation operators in simple genetic algorithm,two new kind operators are introduced.The application of the approach is illustrated with an example.
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Received 2002-01-15; published 2002-01-15
Cite this article:   
LI Chun-li,GUO Zhang-hong,YANG Zhen-sheng .Primary Study on Molecule Design Based on Genetic Algorithm[J]  Chemcial Industry and Engineering, 2002,V19(1): 113-118
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