定量-结构活性关系,quantitative structure¨Cactivity relationships
1)quantitative structure¨Cactivity relationships定量-结构活性关系
2)QSPR/QSAR定量结构-性质/活性关系
英文短句/例句
1.The Development of Topological Indices and Their Application to the QSPR/QSAR Studies;拓扑指数的开发及其在化合物定量结构-性质/活性关系研究中的应用
2.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
3.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
4.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
5.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
6.Quantitative structure-property relationship of halogenated arenes卤代芳烃的定量结构与性质相关性(QSPR)
7.On Quantitative Structure-Activity Relationship of Traditional Chinese Medicine;中药活性成分定量结构药效相关研究
8.Quantitative structure-activity relationships of aromatic compounds芳烃类化合物结构-毒性定量构效关系
9.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
10.Studies on Quality of Folium Mori and Vasorelaxation-structure Relationship of Main Compounds;中药桑叶的质量评价及主要成分血管舒张活性与结构关系
11.RELATIONSHIP BETWEEN QUANTITATIVE STRUCTURES AND ANESTHETIC TOXICITY OF ORGANIC POLLUTANTS有机污染物麻醉毒性的定量结构活性相关研究
12.DFT Study and Quantitative Structure-activity Relationship for Cephalosporin Derivatives头孢类抗生素定量结构-活性关系的密度泛函研究
13.A QUANTITATIVE RELATIONSHIP BETWEEN MOLECULAR STRUCTURE AND CHEMICAL REACTIVITY--Ⅲ.ADDITION REACTION OF ALIPHATIC NITRILES AND METHANOL分子结构与化学活性间的定量关系——Ⅲ.脂肪腈与甲醇的加成反应
14.Study of Quantitative Structure-Activity Relationship Models for Bioconcentration Factors of Organic Pollutants;有机污染物生物富集因子定量结构—活性关系的研究
15.Quantum chemistry study of QSAR between the relative binding affinities and 17αsubstituted estradiol17α取代雌二醇与雌激素受体结合活性的定量构效关系研究
16.Structural Characterization of Substituted Anilines and Phenols and Quantitative Structure-Activity Relationships;取代苯胺和苯酚类化合物的结构表征与结构-活性定量相关关系研究
17.New Chemometric Algorithms in Multivariate Image Analysis and Quantitative Structure-Activity Relationships Studies;多变量图像解析与定量结构活性相关性研究的化学计量学新算法
18.Studies on Quantitative Structure-Activity(Toxicity) Relationships for Some Complex Organic Pullutants;部分复杂有机污染物定量结构—活（毒）性相关研究
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 ofQSAR/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)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。
5)quantitative structure-activity relationships (QSAR)定量结构活性关系(QSAR)
6)QSAR定量结构活性关系
1.Genetic algorithms are applied to variable selection in quantitative structure-activity relationship (QSAR) studies.将遗传算法引入定量结构活性关系(QSAR)研究中,对变量进行选择,可同时建立几种比较好的QSAR模型,并以交互验证的决定系数作为适应函数,以保证模型质量的可靠性。
2.The combination of two methods is proposed to construct GA\|based PLS analysis,which is applied toQSAR studies for variable selection and model construction.将遗传算法和偏最小二乘法结合应用于定量结构活性关系研究中 ,进行变量选择和建立最终模型 。
3.When people talk about a newthing,they always ask questions like:is it useful or can it really solve some problems?Quantitative structure-activity relationship (QSAR) methodology is also in this situation now.定量结构活性关系(Quantitative Structure-Activity Relationship, QSAR)研究也不例外,其在解决实际问题中的实用性一直备受关注。
延伸阅读
定量构效关系分子式：CAS号：性质：不同化学结构的物质具有不同的化学性质，利用现代数学和统计学方法来研究不同化学结构与化学性质的相关关系构成了定量构效关系的主要内容。定量构效关系研究首先就是将某些物质的化学结构(大都为某一母体上的取代基)数量化，然后这些物质的可测化学性质联系起来，或用回归方法，如偏最小二乘法、主成分回归及多元线性回归来建立数学模型；或是采用模式认别方法，以预测另一些化学物质的化学性质。这一研究领域作为量子化学的一个补充，近年来得到很快的发展。
