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-phenylindole derivatives
相关语句
  2-苯基吲哚衍生物
     Quantitative structure-activity relationships(QSAR) of 2-phenylindole derivatives
     2-苯基吲哚衍生物的定量结构-活性关系研究
短句来源
     QSAR Studies of 2-Phenylindole Derivatives Using Physicochemical Parameters of Substituents
     取代基物化参数用于2-苯基吲哚衍生物构效关系的研究
短句来源
     A novel substituent descriptor based on the physicochemical parameters about the electronic,hydrophobic and steric properties of substituents is used to describe the chemical structures of 2-phenylindole derivatives.
     用取代基电性、立体性和疏水性物化参数对2-苯基吲哚衍生物进行了结构表征,并对化合物与雌激素受体相对亲和力进行定量结构活性相关(QSAR)研究。
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  “2-phenylindole derivatives”译为未确定词的双语例句
     But introduction of substituents with strong electronic effects in 1 and 3 positions of the indole ring and the structure with hydroxy group at in the 4′ position of 2-phenyl ring may decrease the binding affinity between the 2-phenylindole derivatives and ligand of estrogen receptor.
     而吲哚环1号N原子和3号C原子上电性强的取代基、2-苯基环上4′号位置有羟基取代等,均对化合物亲和力的提高不利。
短句来源
  相似匹配句对
     2.Partial derivatives;
     2.偏导数;
短句来源
     Quantitative structure-activity relationships(QSAR) of 2-phenylindole derivatives
     2-苯基吲哚衍生物的定量结构-活性关系研究
短句来源
     (2) the PEGylated derivatives of cyclovirobuxine D.
     (2)环维黄杨星D聚乙二醇化衍生物,9个。
短句来源
     H2 ?
     M2中是粘在一起的.
短句来源
     2).
     2,从能量和物质平衡的角度考虑区域尺度上的水土流失过程.
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  -phenylindole derivatives
In this study, a series of 2-phenylindole derivatives were evaluated via an in vitro spectrophotometric assay for their ability to inhibit rat kidney AR.
      
Preliminary evaluation of rat kidney aldose reductase inhibitory activity of 2-phenylindole derivatives: affiliation to antioxid
      


The geometry structure of 36 2-phenylindole derivatives were optimized by AM1.The parameters of the electronic,geometric and topological structures,such as net charge,dihedral,bond length and topological index,were obtained by the technique of molecule graphics and AM1.The correlations among the structures and affinities of 36 2-phenylindole derivatives for the estrogen receptor in calf uterus sere done with QSAR.The results from the correlations were satisfactory.

应用半经验量子化学AM1法得到了36种2-苯基吲哚衍生物的优势构像,再利用量子化学算法和分子图形学技术获得电子结构、几何结构及连接性结构参数,并将这些参数和2-苯基吲哚衍生物在4℃时与小牛子宫雌激素受体的相对亲合力相关联.结果表明:2-苯基吲哚衍生物在4℃时与小牛子宫雌激素受体的亲合力大小和氮原子所连原子的净电荷Q;2号、3号、10号和15号原子间的二面角D;5号碳原子与其所连原子间的键长L和零阶连接性指数°G的相关性较好,成功地建立了36种2-苯基吲哚衍生物的构效关系式.

A novel substituent descriptor based on the physicochemical parameters about the electronic,hydrophobic and steric properties of substituents is used to describe the chemical structures of 2-phenylindole derivatives.The variables are reduced using stepwise multiple regression(SMR) method for the training set,and the statistical results indicate that the correlation coefficient square in the multiple linear regression and cross validation using leave one out(LOO) is 0.900 and 0.662,respectively.To validate...

A novel substituent descriptor based on the physicochemical parameters about the electronic,hydrophobic and steric properties of substituents is used to describe the chemical structures of 2-phenylindole derivatives.The variables are reduced using stepwise multiple regression(SMR) method for the training set,and the statistical results indicate that the correlation coefficient square in the multiple linear regression and cross validation using leave one out(LOO) is 0.900 and 0.662,respectively.To validate the predictive power of resulting models,external validation are performed with R~2_(ext) and Q~2_(ext) values of(0.896 6) and(0.897 4),respectively.The models obtained also shows that the substituents on nitrogen atom of the 1-position of the indole ring have more relative binding affinities.But introduction of substituents with strong electronic effects in 1 and 3 positions of the indole ring and the structure with hydroxy group at in the 4′ position of 2-phenyl ring may decrease the binding affinity between the 2-phenylindole derivatives and ligand of estrogen receptor.

用取代基电性、立体性和疏水性物化参数对2-苯基吲哚衍生物进行了结构表征,并对化合物与雌激素受体相对亲和力进行定量结构活性相关(QSAR)研究。经逐步回归筛选变量后,所建多元线性回归方程的复相关系数R2及留一法交互检验相关系数R2cv分别为0.900和0.662。用预测集样本进行了外部预测,所得外部预测样本集复相关系数Re2xt和外部预测集交互检验Q2ext分别为0.896 6和0.897 4。模型结果显示:吲哚环1号N原子上立体效应强的取代基有利于亲和力的提高;而吲哚环1号N原子和3号C原子上电性强的取代基、2-苯基环上4′号位置有羟基取代等,均对化合物亲和力的提高不利。

 
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