摘要
本文介绍了一种基于遗传算法思想的计算机辅助分子设计 (CAMD)方法 ,该法以DUNIFAC法基团形式进行基因编码 ,并对基础遗传算法中的选择、杂交和变异等算子进行了修正 ,同时提出了倒身和单性两个新的操作算子。
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.
出处
《化学工业与工程》
CAS
2002年第1期113-118,共6页
Chemical Industry and Engineering
