定量结构性质关系,QSPR
1)QSPR定量结构性质关系
1.The quantitative structure property relationships ( QSPR) of boiling point for 119 fatty alcohols is set up with some quantum-chemical parameters calculated by HyperChem7.0计算与脂肪醇沸点相关的结构参数对119种脂肪醇的沸点做定量结构性质关系(QSPR)研究。
英文短句/例句

1.The Research on Novel Concepts and Algorithms of Pollutants Biodegradation Kinetics and Quantitative Structure Property Relationship Prediction;污染物的微生物降解动力学及定量结构性质关系预测的新概念、新算法研究
2.Quantitative structure-property relationship of halogenated arenes卤代芳烃的定量结构与性质相关性(QSPR)
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.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
5.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
6.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
7.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
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.The Theoretical Process of the Relation Between the Non-Linear Vocal Parameter B/A and the Medium Structure;非线性声参量B/A与媒质结构关系理论进展
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.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
14.Quantitative Structure-Property Relationship Study for Predicting Heat of Combustion of Liquid Hydrocarbon应用定量结构-性质相关性研究预测液态烃燃烧热
15.A Structural Equation Model between Doctoral Education Quality and Doctor s Development Quality;博士培养质量与发展质量关系的结构方程模型
16.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
17.Concentrates on structure, structure formation, and structure-properties relationships.主要著重在结构、构形成和性质结构关系。
18.The Statistical Relationship between mRNA Sequence, Structure, Energy and Protein Secondary Structure;mRNA序列、结构、能量和蛋白质二级结构的相关性
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)QSPR定量结构性质关系(QSPR)
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。