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ISSN 1000-6818CN 11-1892/O6CODEN WHXUEU
Acta Phys Chim Sin >> 1997,Vol.13>> Issue(07)>> 626-631     doi: 10.3866/PKU.WHXB19970710         中文摘要
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A QSAR Research Method Based on Pseudoreceptor Model
Chen Hong-Ming,Zhou Jia-Ju,Xie Gui-Rong,Ren Tian-Rui
Laboratory of Computer Chemistry,Chinese Academy of Science,Beijing 100080
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In this paper, PARM algorithm which can be used in QSAR research was put forward. In this algorithm, a set of pseudo atom was defined and a series of pseudo receptor model was generated by using genetic algorithm. These models which have high correlation between receptor-liagnd interaction and bioactivity can predict bioactivity of unknown molecules. This algorithm was used to investigate the K+ channel opener system. The reasonable results were obtained.



Keywords: Pseudoreceptor model   Genetic algorithm   Quantitative structure-activity-relationship  
Received: 1996-12-23 Accepted: 1997-03-16 Publication Date (Web): 1997-07-15
Corresponding Authors: Zhou Jia-Ju Email:


Cite this article: Chen Hong-Ming,Zhou Jia-Ju,Xie Gui-Rong,Ren Tian-Rui. A QSAR Research Method Based on Pseudoreceptor Model[J]. Acta Phys. -Chim. Sin., 1997,13 (07): 626-631.    doi: 10.3866/PKU.WHXB19970710
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