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摘要
As an important heuristic optimization algorithm, genetic algorithm (GA) has been widely applied in computer-aided drug design (CADD). In this paper, the basic concept and mechanism of GA were introduced. Moreover, combining the research work in authors'; group, the applications of GA in quantitative structure-activity relationship, conformational analysis, pharmacophore modeling, molecular docking and virtual combinatorial chemistry, were reviewed.
- 出版日期2004-1
- 单位北京大学
