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catalyst软件包
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  catalyst software
     In this paper,the three dimensional pharmacophore model of two kinds of HCV NS3 serine protease inhibitors was obtained by using the CATALYST software.
     通过CATALYST软件包得到了两类HCVNS3丝氨酸蛋白酶抑制剂的三维药效团模型.
短句来源
     In this paper three-dimensional pharmcophore models of this series compound binding to α1 and α2 - adrenoceptor have been studied using Catalyst software. The correlate coefficient of the two modelds are 0.96 and 0.99 respectively and shows good predictive ability.
     本文用Catalyst软件包对这一系列的化合物进行了三维药效团模型研究,建立了与α1和α2-肾上腺素能受体结合的不同的药效团模型,2个模型的线性回归系数分别是0.96和0.99。
短句来源
  相似匹配句对
     CAMIO Software Package
     CAMIO软件包
短句来源
     2.CATALYST Ⅱ;
     CATALYSTⅡ;
短句来源
     Multifunctional Software Package for Control Systems
     控制系统多功能软件包
短句来源
     In this paper,the three dimensional pharmacophore model of two kinds of HCV NS3 serine protease inhibitors was obtained by using the CATALYST software.
     通过CATALYST软件包得到了两类HCVNS3丝氨酸蛋白酶抑制剂的三维药效团模型.
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In this paper,the three dimensional pharmacophore model of two kinds of HCV NS3 serine protease inhibitors was obtained by using the CATALYST software.Although these two kinds of inhibitors possess quite different structures,yet a common pharmacophore model with very good statistical results can be determined.The results uncover that these two kinds of molecules will take the similar pattern when they interact with the receptor.Based on the pharmacophore model,a 3D QSAR analysis was performed and the model...

In this paper,the three dimensional pharmacophore model of two kinds of HCV NS3 serine protease inhibitors was obtained by using the CATALYST software.Although these two kinds of inhibitors possess quite different structures,yet a common pharmacophore model with very good statistical results can be determined.The results uncover that these two kinds of molecules will take the similar pattern when they interact with the receptor.Based on the pharmacophore model,a 3D QSAR analysis was performed and the model showed good predictive ability (correlation coefficient R=0.89).

通过CATALYST软件包得到了两类HCVNS3丝氨酸蛋白酶抑制剂的三维药效团模型.尽管这两类抑制剂具有完全不同的骨架结构,但得到的药效团却具有共同的特性.这表明当这两类抑制剂和受体发生相互作用时,可能采用了相似的结合模式.根据药效团模型,进行了三维构效关系的研究.结果表明 ,得到的药效团模型具有很好的预测能力 (线性回归系数R=0.89).

4-substituted imidazole analogs is a new class of selective α2 - adrenoceptor agonists. Medetomidine is its representative and is used as a veterinary sedative-anesthetic drug. In this paper three-dimensional pharmcophore models of this series compound binding to α1 and α2 - adrenoceptor have been studied using Catalyst software. The correlate coefficient of the two modelds are 0.96 and 0.99 respectively and shows good predictive ability. Based on the pharmacophore model, a 3D - QSAR analysis was performed and...

4-substituted imidazole analogs is a new class of selective α2 - adrenoceptor agonists. Medetomidine is its representative and is used as a veterinary sedative-anesthetic drug. In this paper three-dimensional pharmcophore models of this series compound binding to α1 and α2 - adrenoceptor have been studied using Catalyst software. The correlate coefficient of the two modelds are 0.96 and 0.99 respectively and shows good predictive ability. Based on the pharmacophore model, a 3D - QSAR analysis was performed and can guide us to design new selective α2 - adrenoceptor agonists.

4-取代的咪唑类化合物是一类新发现的α2-受体肾上腺素能受体专一性激动剂,其代表物为medetomidine。Medetomidine在一些国家已经作为动物麻醉药使用。本文用Catalyst软件包对这一系列的化合物进行了三维药效团模型研究,建立了与α1和α2-肾上腺素能受体结合的不同的药效团模型,2个模型的线性回归系数分别是0.96和0.99。通过建立的药效团模型,研究其结构与活性关系,以指导新的专一性α2-肾上腺素能受体激动剂的设计与合成。

 
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