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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.

Keywords��

Received 2002-01-15; published 2002-01-15

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���,��º�,��.��Ŵ��㷨�ķ��Ƴ�̽[J]. ��ѧ��ҵ�빤��, 2002,19(1): 113-118

LI Chun-li,GUO Zhang-hong,YANG Zhen-sheng .Primary Study on Molecule Design Based on Genetic Algorithm[J]. Chemcial Industry and Engineering, 2002,19(1): 113-118

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