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- 选用辛醇/水分配系数(logP)、分子最低空轨道能(ELUMO)和平均超离域性(SNav)作为参数,与logl/EC50值进行定量构效关系(QSAR)研究。The quantitative structure activity relationship(QSAR)studies have been performed with the logl/EC 50 values by using octanol/water partition coefficient(logP),energy of the lowest unoccupied molecular(E LUMO ) and average superdelocalizability (S N av ) as variables.
- 拓扑-量子指数醛酮气相色谱保留指数及沸点的定量构效关系Quantitaive Structure Property Relationship Study of Gas Chromatographic Retention Indices and Boiling Points for Oxo Compounds Using Topological-Quantum Descriptors
- 构效关系(QSAR)QSAR
- 量子化学参数研究聚苯乙烯类玻璃化温度的定量构效关系QSPR study on glass transition temperatures of polystyrenes by using Quantum - Chemistry descriptors
- 循环子空间回归的一种快速算法及其在定量构效关系中的应用A Rapid Algorithm of Cyclic Subspace Regression and Its Application to Quantitative Structure-Activity Relationships
- 莲心碱衍生物的合成及其抗心律失常作用的定量构效关系研究Studies on synthesis and antiarrhythmic quantitative structure-activity relationships of liensinine's derivatives
- 烷基酚类化合物对发光菌的定量构效相关研究Research on QSAR of Alkyl Phenolic Compound to Photobacterium Phosphoreum
- 利用加权量子拓扑指数建立了抗肿瘤多酸的电子结构及其抗肿瘤活性之间的构效关系;The correlationship between electronic structures of polyoxometalates based onDFT-DVM and antitumor activities of polyoxometalates could be expressedcorrectly by WQTI.
- 紫杉醇类似物抗癌活性构效关系的神经网络模式识别研究NEURAL NETWORK PATTERN RECOGNITION STUDY ON THE QUANTITATIVE STRUCTURE-ACTIVITY RELATIONSHIPS OF TAXOL ANALOGUE ANTI-TUMOR DRUGS
- 烷氨基1,2-二苯乙烯类钙调素拮抗剂定量构效关系的研究Quantitative Stucture-Activity Relationship Studies onCalmodulin Antagonists of Alkylamino 1,2-Diphenylethvl-ene Compounds
- 闹羊花素类化合物对斜纹夜蛾幼虫表皮成分的影响及构效关系Effects of rhodojaponins from Rhododendron molle on cuticle components of Spodoptera litura larvae and their structure-activity relationship
- 经典构效关系classical structure-activity relationships
- 三维构效关系3D - QSAR(Three Dimensional Quantitative Structure - Activity Relationship)
- 动力学构效关系分析dynamic structure-activity analysis
- 紫杉醇构效关系研究新进展Progress in The New Research of SAR of Taxol
- 哌啶类镇痛药构效关系的研究Research on the relation between structure and efficiency of pethidine analgesics
- 喜树碱的结构修饰与构效关系Structural Modification and Seructure- activity Relationships of Camptothecin
- 儿茶素抗氧化活性的构效关系Study of the relationship between structures and antioxidative activities of catechin
- 多氯联苯热力学性质的构效关系QSPR research of thermodynamic properties of polychlorinated biphenyl
- 氟喹诺酮构效关系研究的新进展Recent Progress in Structure-Activity Relationship of Antibacterial Fluoroquinolones