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量化指数
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  quantification index
     Bv Adopting the CNDO / 2 method in computing the quantification index of 21 nitrobenzene compounds, and conducting correlation and reeression analyses, this paper reveals the molecular structure and its structure-activity relation with bacteria toxicitv in riverwater.
     本文应用CNDO/2方法对21个硝基苯化合物的量化指数进行了计算,经相关分析和回归分析,得到分子结构对江水细菌毒性的构效关系.
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  “量化指数”译为未确定词的双语例句
     To analyze the QSAR of 13 paclitaxel analogues (for R6 = H), the MM3 geometry optimization and MNDO quantum chemical indexes have been performed.
     应用MM3分子力学方法对R6=H的13个紫杉醇类似物进行几何优化,并采用MNDO法计算了化合物的电子结构,应用回归分析、神经网络等方法寻找其量化指数与抗癌活性的关系.
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     By using the CNDO/2 quantum chemistry method, indices of quantization of 35 benzoyl compounds were calculated. The effects of the structure of 35 compounds on the life of L1210 eukemia-bearing mice were studied by pattern recognition method.
     用CNDO/2量化方法计算了35个苯甲酰类化合物的量化指数,并应用模式识别方法研究了该类化合物的结构对治疗患L1210肿瘤小鼠药效的影响,得到满意的分类图。
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     To analyze the QSAR of 28 10 OAc paclitaxel analogues,the MM3 geometry optimization and MNDO quantum chemical indexes had been performed.
     应用MM 3分子力学方法计算了 2 8个 10位OAc取代紫杉醇类似物的优势构象 ,采用MNDO法计算了化合物的电子结构 ,并用回归分析和神经网络 (BP网络 )方法寻找其量化指数与抗癌活性的关系。
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     2. After the MM3 geometry optimizating, the electronic structure of taxol analogues both a group containing 28 ones and a group containing 43 ones have been calculated by MNDO quantum chemical method. To analyze the QSAR of taxol analogue anti-tumor drugs, the pattern recognition of BP artificial neural network have been performed.
     2.经比较选用MM3分子力学方法分别计算一组含28个和一组43个紫杉醇类似物的优势构象,采用MNDO法计算了化合物的电子结构,并用回归分析和BP神经网络模式识别方法寻找其量化指数与抗癌活性的关系。
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     The CREAM quantitfication analysis is improved based on the core thought of CREAM,and the performance influence index of the common performance condition (CPC) on human reliability and the context influence index which quantifies the effect of the con- text on human error are presented.
     以CREAM的核心思想为基础,对定量分析方法进行了改进,给出了共同绩效条件(CPC)对人的可靠性影响的量化指数
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     A clinical study on solute removal index as an index to quantitate the adequacy of hemodialysis
     溶质清除指数量化血液透析充分性的研究
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     Service Quality Index
     服务质量指数
     Index number for atmospheric pollution
     大气污染指数
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     The Research of Exponential Measuring of Industrial Design's Evaluation Criterion
     工业设计评价标准的指数量化研究
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     The vector quantization for Linear predictive coding
     线性预测编码的矢量量化
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  numerical index
Their mixing features were studied by using numerical index analysis of fuzzy sets.
      
A numerical index of protection has been assessed from the geophysical information derived from 2D electrical resistivity tomography.
      
The latter parameter is quantitatively expressed by a numerical index.
      
A numerical index was used to quantify the extent of an individual's daily training effort and a conceptual model of the effect of training allowed definition of the extent of consequent fatigue, to be calculated.
      
β is a simple numerical index of rooting distribution based on the asymptotic equation Y=1-βd, where d = depth and Y = the proportion of roots from the surface to depth d.
      
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  quantification index
A quantification index of reflux is used and can be of value when there is concern about the significance of a positive result.
      


A group of p- amino- diphenyl ether analogues were

测定了一组对氨基二苯醚类似物延长小鼠戊巴比妥睡眠时间和体外抑制未经处理的小鼠肝微粒体催化氧化对硝基茴香醚脱甲基的活性。用逐步多元回归分析法导出了这些类似物体内和体外抑制细胞色素P-450(P-450)的活性与量化指数的定量构效关系(QSAR)。结果表明:对氨基二苯醚类似物体内和体外抑制P-450的活性均与最低未占据分子轨道能级(ELUMO)、氨基氮原子的亲核超离域度(SN(N))和醚氧原子的亲核超离域度(SN(O))相关。这些类似物的代谢中间体(MI)与P-450形成P-450代谢中间体络合物(P-450-MI)可能是它们能够抑制P-450的主要原因。

By using

用CNDO/2量化方法计算了32个异羟肟酸化合物、6个酰胺化合物和9个羧甲酯类化合物的电子结构,对其中的44个化合物的量化指数与其抑制核苷酸还原酶的活性参数PC进行逐步回归计算,得到关于异羟肟酸化合物、酰胺类化合物和羧甲酯类化合物的二个QSAR,由QSAR表明化合物抑制核苷酸还原酶的机制是络合机制。同时,用模式识别方法研究了其中35个化合物的结构对治疗患L1210肿瘤小鼠药效的影响,得到满意的分类图,结果表明化合物的抗癌活性是通过抑制核苷酸还原酶所致,但化合物在体内到达受体的过程和难易程度对药效的影响较大。

Purpose: To study the QSAR of the ribonucleotide reductase inhibitors on the electron level. Methods: By using the CNDO/2 quantum chemical method, 32 substituted hydroxamic acids, 5 substituted benzamides and 7 substituted methyl benzoates have been calculated. These 44 compounds were studied by step regression method. Results: Two quantitative structure-(ribonucleotide reductase inhibitors) activity relationships of two group (hydroxamic acids and benzamides, methyl benzoates) were botained. They were:(1)PC=3...

Purpose: To study the QSAR of the ribonucleotide reductase inhibitors on the electron level. Methods: By using the CNDO/2 quantum chemical method, 32 substituted hydroxamic acids, 5 substituted benzamides and 7 substituted methyl benzoates have been calculated. These 44 compounds were studied by step regression method. Results: Two quantitative structure-(ribonucleotide reductase inhibitors) activity relationships of two group (hydroxamic acids and benzamides, methyl benzoates) were botained. They were:(1)PC=3 00-2 74 CQS-0.15 EHOMO+0.22 SHEP for substituted hydroxamic acids and;(2)PC=10.06-0.96 CQS+1.07 ELU MO+0.66 SHEP for substituted benzamides and methyl benzoates. Conclusions: The quantum chemical indexes in the two QSAR affected the inhibitory activity to similar degree and the mechanism of inhibition of ribonucleotide reductase by inhibitors involves metal chelation. The inhibitory activities of the compounds may be predicated by the QSAR.

目的:从电子水平上探讨具有抗肿瘤活性的核苷酸还原酶抑制剂的定量构效关系(QSAR)。方法:用CNDO/2量化方法计算了32个异羟肟酸化合物、5个酰胺化合物和7个羧甲酯类化合物的电子结构,对化合物的量化指数与其对核苷酸还原酶半抑制量的负对数值PC进行了逐步回归。结果:得到关于异羟肟酸化合物(第一组),酰胺化合物和羧甲酯类化合物(第二组)的两个QSAR。(1)PC=3.00-2.74CQS-0.15EHOMO+0.22SHEP;(2)PC=10.06-0.96CQS+1.07ELUMO+0.66SHEP。结论:QSAR表明化合物抑制核苷酸还原酶的机制是络合机制,由QSAR可预测该类化合物抑制核苷酸还原酶的活性

 
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