引用本文:
陈红明, 周家驹, 谢桂荣, 任天瑞. 一种基于虚拟受体模型的定量构效关系研究方法[J]. 物理化学学报,
1997, 13(07): 626-631.
doi:
10.3866/PKU.WHXB19970710
Citation: Chen Hong-Ming, Zhou Jia-Ju, Xie Gui-Rong, Ren Tian-Rui. A QSAR Research Method Based on Pseudoreceptor Model[J]. Acta Physico-Chimica Sinica, 1997, 13(07): 626-631. doi: 10.3866/PKU.WHXB19970710
Citation: Chen Hong-Ming, Zhou Jia-Ju, Xie Gui-Rong, Ren Tian-Rui. A QSAR Research Method Based on Pseudoreceptor Model[J]. Acta Physico-Chimica Sinica, 1997, 13(07): 626-631. doi: 10.3866/PKU.WHXB19970710
一种基于虚拟受体模型的定量构效关系研究方法
English
A QSAR Research Method Based on Pseudoreceptor Model
Abstract:
In this paper, PARM al rithm which can be used in QSAR research was put forward. In this al rithm, a set of pseudo atom was defined and a series of pseudo receptor model was generated by using genetic al rithm. These models which have high correlation between receptor-liagnd interaction and bioactivity can predict bioactivity of unknown molecules. This al rithm was used to investigate the K+ channel opener system. The reasonable results were obtained.
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