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Acta Physico-Chimica Sinica  1997, Vol. 13 Issue (07): 626-631    DOI: 10.3866/PKU.WHXB19970710
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.

Key wordsPseudoreceptor model      Genetic algorithm      Quantitative structure-activity-relationship     
Received: 23 December 1996      Published: 15 July 1997
Corresponding Authors: Zhou Jia-Ju   
Cite this article:

Chen Hong-Ming,Zhou Jia-Ju,Xie Gui-Rong,Ren Tian-Rui. A QSAR Research Method Based on Pseudoreceptor Model. Acta Physico-Chimica Sinica, 1997, 13(07): 626-631.

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