1) 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。
3) quantitative structure-activity/property relationship(QSAR/QSPR)
定量结构活性/性质相关
4) quantitative structure-property/activity/retention relationship
定量结构与性质/活性/保留关系
5) Quantitative Structure Property/Activity Relationships (QSAR/QSPR)
定量结构-活性/性质关系(QSAR/QSPR)
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。
补充资料：定量
①测定物质所含各种成分的数量：～分析。②规定数量：～供应ㄧ定质～。③规定的数量：超出～。
说明：补充资料仅用于学习参考，请勿用于其它任何用途。
参考词条