定量构性关系,QSPR英语短句,例句大全

定量构性关系,QSPR
1)QSPR定量构性关系
1.Lastly,a QSPR equation is constructed by the Partial Least Squares method.最后用偏最小二乘法建立了此类染料水解反应活性的定量构性关系方程。
2.A QSPR equation is constructed using the Partial Least Squares method.最后用最小二乘法建立了此类染料水解反应活性的定量构性关系方程。

英文短句/例句

1.New Methodology in Chemical Data Mining and Foundational Research on QSPR;化学数据挖掘新算法和定量构性关系基础研究
2.Research on the Quantitative Structure-Property Relationships (QSPR) to the Organic Chemicals Using Topological Index T;用拓扑指数T研究有机化合物定量构性关系
3.Quantitative structure-activity relationships of aromatic compounds芳烃类化合物结构-毒性定量构效关系
4.Study on the Quantitative Structure-Activity Relationship of Artemisinin Analogs;青蒿素类似物定量结构—活性关系研究
5.Molecular Electronegativity-Distance Vector as Applied in Quantitative Structure-Activity Relationship (QSAR) for Pharmacy;电性距离矢量用于药物定量构效关系研究
6.A QSAR Study of Anticancer Activities with Electronic Structures of Paclitaxel;紫杉醇抗癌活性与电子结构的定量构效关系
7.On the correlation of molecule descriptors used in QSAR study定量构效关系研究中分子描述符的相关性
8.Study on Quantified Relation between Structure and Properties of Several Series Compounds;若干系列化合物结构与性能间的定量关系研究
9.QSAR Study on Epothilones;Epothilones的定量构效关系研究
10.Quantitative Relation Between the Additive Property of Aliphatic Alcohol and its Molecular Structure脂肪醇加和型性能与其分子结构间的定量关系
11.QSAR Study on Hallucinogenic Phenylalkylamines;苯烷基胺类迷幻剂的定量结构—活性关系（QSAR）研究
12.Correlation of quantitative structure with toxicity for substituted aromatic compounds using DFTDFT法研究取代芳烃结构与毒性的定量关系
13.QSAR study of toxicity on fish based on molecular descriptors环境化合物对鱼类毒性的定量构效关系研究
14.Quantitative Structure Activity Relationships Study of Blood Brain Partitioning and Human Intestinal Absorption;脑血分配系数及人体肠吸收性质的定量构效关系研究
15.Quantitative Structure-Property Relationships Study of Some Persistent Organic Pollutants;部分持久性有机污染物的定量结构—性质关系研究
16.The Study of the Application of Quantitative Structure-activity/ Property Relationship in Capillary Electrophoresis;定量结构—活性/性质关系研究方法在毛细管电泳中的应用研究
17.QSAR study on the acute toxicity of nitroaromatic compounds to the tetrahymena pyriformis硝基芳烃对梨形四膜虫急性毒性的定量构效关系研究
18.Quantitative structure-property relationship of halogenated arenes卤代芳烃的定量结构与性质相关性(QSPR)

相关短句/例句

QSPR/QSAR定量结构-性质/活性关系
3)QSAR/QSPR定量结构-活性/性质关系
1.Recently,with the rapid development and the extensive application of computer science,the studies of QSAR/QSPR was improved to a new step and they have been widely used in several fields including biology,medicinal science, chemical and environmental science,etc.定量结构-活性/性质关系(Quantitative Structure-Activity/Property Relationship,QSAR/QSPR)作为化学信息学的一个分支,是目前国际上研究的热点之一,它主要是应用各种理论计算方法和统计学方法研究化合物的结构与其生物活性/理化性质之间的关系。
4)QSPR定量结构-性质关系
1.QSPR Studies on the Physicochemical Properties of Polybrominated Diphenyl Ethers Using Theoretical Descriptors Derived from Electrostatic Potentials on Molecular Surface;多溴联苯醚定量结构-性质关系的分子表面静电势应用研究
2.Applications of QSPR in Analytical Chemistry;定量结构-性质关系在分析化学中的应用研究进展
3.QSPR Studies on the Physicochemical Properties of Polycyclic Aromatic Hydrocarbons——The Application of Theoretical Descriptors Derived from Electrostatic Potentials on Molecular Surface;基于分子表面静电势参数研究多环芳烃化合物的定量结构-性质关系
5)Quantitative structure-property relationship定量结构-性质关系
6)QSAR定量结构-活性关系
1.Quantitative structure-activity relationship(QSAR)modeling is a helpful approach used to correlate the activities of organic pollutants with their structure descriptors.采用量子化学从头算方法在HF/6-31G(d)水平下计算了7种含S=P键的有机磷农药的多个量子化学参数,运用偏最小二乘法建立CPO对有机磷农药反应活性的定量结构-活性关系(QSAR)模型。
2.2-Dimensional quantitative structure-activity relationship (2D-QSAR) analysis of novel 4-[3-(pyrid- 4-yl)-3-substituted phenyl acryloyl] morpholine were investigated with selected descriptors based on the genetic function approximation (GFA) for their fungicidal activities (pEC50) against two types of pathogen drone, respectively.在对4-[3-(吡啶-4-基)-3-取代苯基丙烯酰]吗啉类杀菌剂进行合理分类的基础上,应用遗传函数算法(GFA)分别建立优选描述符与化合物对2种病菌靶标杀菌活性(pEC50)的二维定量结构-活性关系(2D-QSAR)模型,并优选了模型所需的最佳描述符数量。