助手标题  
全文文献 工具书 数字 学术定义 翻译助手 学术趋势 更多
查询帮助
意见反馈
   结构-保留相关 的翻译结果: 查询用时:0.549秒
图标索引 在分类学科中查询
所有学科
化学
更多类别查询

图标索引 历史查询
 

结构-保留相关
相关语句
  structure-retention relationships
     The Application of Artificial Neural Networks in the Study of Quantitative Structure-Retention Relationships for Saturated Alcohols
     饱和醇定量结构-保留相关研究中人工神经网络的应用
短句来源
  “结构-保留相关”译为未确定词的双语例句
     Three best 7-variable models, with the calibrated correlation coefficient of r>0.99 and the validated correlation coefficient of q>0.98 for three stationary phases, were built by multiple linear regression, which shows a good estimation ability and stability of models.
     通过多元线性回归法建立OP化合物在三个固定相上的定量结构-保留相关模型(QSRR)发现,各QSAR模型的估计相关系数均在0.99以上,LOO检验相关系数在0.98以上,表明模型具有良好估计能力与稳定性.
短句来源
  相似匹配句对
     Quantitative Structure-Retention Relationship(QSRR) Studies of Polychlorinated Dibenzodioxins(PCDDs)
     二恶英异构体的定量结构色谱保留相关研究
短句来源
     Model of Artificial Neural Network for Quantitative Structure-Retention Relations of Saturated Alcohols
     饱和醇结构-保留定量相关的人工神经网络模型
短句来源
     It researches into correlation structure and property.
     研究了相关结构及性质;
短句来源
     Study and Application on the Relationship between Gas Chromatography Retention Index and Structure Parameters
     定量结构一色谱保留相关法的研究及应用
短句来源
     Using AFS algebra and AFS structure, any human ordinary fuzzy concept can be represented.
     结构
短句来源
查询“结构-保留相关”译词为用户自定义的双语例句

    我想查看译文中含有:的双语例句
例句
为了更好的帮助您理解掌握查询词或其译词在地道英语中的实际用法,我们为您准备了出自英文原文的大量英语例句,供您参考。
  structure-retention relationships
Quantitative Structure-Retention Relationships Applied to Reversed-Phase High-Perfromance Liquid Chromatography
      
A quantitative structure-retention relationships (QSRR) approach, as one of the all-important areas in modern chemical science, gives knowledge that is practical and necessary for drug design, combinatorial, and medicinal chemistries.
      
The results broaden the theoretical basis for the development of quantitative structure-retention relationships to be used for the prediction or interpretation of retention data in reversed-phase chromatography.
      
Quantitative structure-retention relationships for the investigation of the retention mechanism in high performance liquid chrom
      
Structure-retention relationships in the gas chromatography of N,N-dialkylhydrazones
      
更多          


The valence delta δ Y i based on the structural characteristic bonding atom i and mirror its chemical surroundings of molecular was defined: δ Y i=[m i(Z i-h i)+∑(L iL j)]/[ n 2 i(L i +1)]. Based on the adjacency index, a novel molecular structure information connectivity index mY was proposed: mY =∑∏( δ Y i) 0.5 j . Then the molecular structure information connectivity indices of 22 alkoxyl silicon chlorides , 61 sulfides and 74 alkanes were calculated...

The valence delta δ Y i based on the structural characteristic bonding atom i and mirror its chemical surroundings of molecular was defined: δ Y i=[m i(Z i-h i)+∑(L iL j)]/[ n 2 i(L i +1)]. Based on the adjacency index, a novel molecular structure information connectivity index mY was proposed: mY =∑∏( δ Y i) 0.5 j . Then the molecular structure information connectivity indices of 22 alkoxyl silicon chlorides , 61 sulfides and 74 alkanes were calculated . 0 Y and 1 Y were ease to be calculated and have good discrimination between isomeric organic compounds. Quantitative structure etention relationships (QSRR) on gas chromatography retention index (RI) of 22 alkoxyl silicon chlorides, 61sulfides were proposed respectively by multiple linear regression method with good stability and predictability. It has been demonstrated that the method possesses the advantage of easy computation and clear physical significance. The estimated results with above QSRR models are all better than the relevant achievements of literatures. All these results show that the connectivity index mY of edge valence is an important parameter in QSRR studies.

根据分子中成键原子i的结构特征和所处的化学环境,新定义了原子i的价点价δYi,以价连接矩阵为基础构建了 1个新的结构信息价连接性指数mY。利用线性回归技术分别建立了 22个烷氧氯硅烷、61个单硫醚化合物的mY与这些物质的气相色谱保留指数RI的定量结构 /保留相关关系模型 (QSRR)。新模型物理意义明确,计算简便,对不同类型化合物在不同极性固定相上的气相色谱保留指数RI具有良好的稳定性和预测能力,新的结构信息价连接性指数能很好地反映化合物的结构特征。

In order to investigate the quantitative structure-retention relationship in gas chromatography (GC), the molecular structure of monosubstituted alkane RX (X=halogen, OH, SH, NH_2) is divided into two parts, R and X, to obtain molecular structure parameters, and the retention times in GC for 37 monosubstituted alkanes RX were determined. It was proposed that the retention time in GC is affected by three main factors for RX compounds, alkyl group R, substituted group X, and interaction between R and X. Using...

In order to investigate the quantitative structure-retention relationship in gas chromatography (GC), the molecular structure of monosubstituted alkane RX (X=halogen, OH, SH, NH_2) is divided into two parts, R and X, to obtain molecular structure parameters, and the retention times in GC for 37 monosubstituted alkanes RX were determined. It was proposed that the retention time in GC is affected by three main factors for RX compounds, alkyl group R, substituted group X, and interaction between R and X. Using four parameters, the eigenvalue of bonding orbital-connection matrix EVM, the polarizability effect index of alkyl group PEI, the mass content for substituted group X, and the partial charge [WTBX]ΔN_H on hydrogen atom of the group X, a quantitative structure-retention correlation model with correlation coefficient (r) of (0.9948) and standard deviation (S) of (0.0991) was obtained for the 37 RX compounds. The model obtained has good predictive and extrapolation ability. The predicted retention indexes are in good agreement with the experimental ones for alcohols.

将单取代烷烃RX(X=卤素,OH,SH,NH2等)分子结构分为两个区域(R和X)来提取分子结构参数,从三方面影响因素(烷基R、取代基X、R与X的相互作用)来定量关联RX的气相色谱保留时间。实验测定了37种单取代烷烃RX的气相色谱保留时间,并以键连接矩阵特征根之和EVM、烷基极化效应指数PEI、取代基质量分数w和取代基上氢原子所带部分正电荷ΔNH4个参数为变量,建立了定量结构保留相关模型。该模型具有良好的预测能力和外推能力,对醇在不同色谱柱上的保留指数进行了预测,结果与测定值符合得较好。

Electrotopological state index (ETSI) for atom types was used to describe the structures of 35 organophosphates and a quantitative linear relationship between the ETSI descriptors and gas chromatographic retention indices (RI) was developed using the variable selection and modeling based on prediction (VSMP). It was found that some main structural factors influencing the RI of organophosphates are 7 substructures such as =CH2, ≡C—, aaC— (where “a” refers to a chemical bond in the aromatic ring), =O, O, Cl and...

Electrotopological state index (ETSI) for atom types was used to describe the structures of 35 organophosphates and a quantitative linear relationship between the ETSI descriptors and gas chromatographic retention indices (RI) was developed using the variable selection and modeling based on prediction (VSMP). It was found that some main structural factors influencing the RI of organophosphates are 7 substructures such as =CH2, ≡C—, aaC— (where “a” refers to a chemical bond in the aromatic ring), =O, O, Cl and Br, which were related to the molecular skeleton of organophosphates, substituent groups on phenyl ring, and alkyls binding to the bond of P—O. Three best 7-variable models, with the calibrated correlation coefficient of r>0.99 and the validated correlation coefficient of q>0.98 for three stationary phases, were built by multiple linear regression, which shows a good estimation ability and stability of models. A prediction power for the external samples was validated by the model built from the training set with 28 organophosphates.

以原子类型电拓扑状态指数(ETSI)有效表征35个有机磷酸酯类化合物(OP)的分子结构,应用基于预测的变量选择与模型化(VSMP)方法建立OP化合物在3种不同固定相上的气相色谱保留指数(RI)与分子结构(ETSI)的定量相关模型.结果表明,影响不同固定相上OP色谱保留的主要结构因素都是由7个ETSI描述子对应的子结构碎片,即:=CH2,≡C—,aaC—,=O,—O—,Cl和Br.其中子结构aaC—,=O和—O与OP化合物母体骨架密切相关,而=CH2,≡C—,—Cl和—Br反映支链或取代基的变化.通过多元线性回归法建立OP化合物在三个固定相上的定量结构-保留相关模型(QSRR)发现,各QSAR模型的估计相关系数均在0.99以上,LOO检验相关系数在0.98以上,表明模型具有良好估计能力与稳定性.应用28个OP训练集样本构建的QSRR模型预测外部7个检验集RI结果表明训练集模型具有良好预测能力.

 
<< 更多相关文摘    
图标索引 相关查询

 


 
CNKI小工具
在英文学术搜索中查有关结构-保留相关的内容
在知识搜索中查有关结构-保留相关的内容
在数字搜索中查有关结构-保留相关的内容
在概念知识元中查有关结构-保留相关的内容
在学术趋势中查有关结构-保留相关的内容
 
 

CNKI主页设CNKI翻译助手为主页 | 收藏CNKI翻译助手 | 广告服务 | 英文学术搜索
版权图标  2008 CNKI-中国知网
京ICP证040431号 互联网出版许可证 新出网证(京)字008号
北京市公安局海淀分局 备案号:110 1081725
版权图标 2008中国知网(cnki) 中国学术期刊(光盘版)电子杂志社