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- 選用辛醇/水分配系數（logP）、分子最低空軌道能（ELUMO）和平均超離域性（SNav）作為參數，與logl/EC50值進(jìn)行定量構效關(guān)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.
- 拓撲-量子指數醛酮氣相色譜保留指數及沸點(diǎn)的定量構效關(guān)系Quantitaive Structure Property Relationship Study of Gas Chromatographic Retention Indices and Boiling Points for Oxo Compounds Using Topological-Quantum Descriptors
- 構效關(guān)系（QSAR）QSAR
- 量子化學(xué)參數研究聚苯乙烯類(lèi)玻璃化溫度的定量構效關(guān)系QSPR study on glass transition temperatures of polystyrenes by using Quantum - Chemistry descriptors
- 循環(huán)子空間回歸的一種快速算法及其在定量構效關(guān)系中的應用A Rapid Algorithm of Cyclic Subspace Regression and Its Application to Quantitative Structure-Activity Relationships
- 蓮心堿衍生物的合成及其抗心律失常作用的定量構效關(guān)系研究Studies on synthesis and antiarrhythmic quantitative structure-activity relationships of liensinine's derivatives
- 烷基酚類(lèi)化合物對發(fā)光菌的定量構效相關(guān)研究Research on QSAR of Alkyl Phenolic Compound to Photobacterium Phosphoreum
- 利用加權量子拓撲指數建立了抗腫瘤多酸的電子結構及其抗腫瘤活性之間的構效關(guān)系；The correlationship between electronic structures of polyoxometalates based onDFT-DVM and antitumor activities of polyoxometalates could be expressedcorrectly by WQTI.
- 紫杉醇類(lèi)似物抗癌活性構效關(guān)系的神經(jīng)網(wǎng)絡(luò )模式識別研究NEURAL NETWORK PATTERN RECOGNITION STUDY ON THE QUANTITATIVE STRUCTURE-ACTIVITY RELATIONSHIPS OF TAXOL ANALOGUE ANTI-TUMOR DRUGS
- 烷氨基1，2－二苯乙烯類(lèi)鈣調素拮抗劑定量構效關(guān)系的研究Quantitative Stucture-Activity Relationship Studies onCalmodulin Antagonists of Alkylamino 1,2-Diphenylethvl-ene Compounds
- 鬧羊花素類(lèi)化合物對斜紋夜蛾幼蟲(chóng)表皮成分的影響及構效關(guān)系Effects of rhodojaponins from Rhododendron molle on cuticle components of Spodoptera litura larvae and their structure-activity relationship
- 經(jīng)典構效關(guān)系classical structure-activity relationships
- 三維構效關(guān)系3D - QSAR(Three Dimensional Quantitative Structure - Activity Relationship)
- 動(dòng)力學(xué)構效關(guān)系分析dynamic structure-activity analysis
- 紫杉醇構效關(guān)系研究新進(jìn)展Progress in The New Research of SAR of Taxol
- 哌啶類(lèi)鎮痛藥構效關(guān)系的研究Research on the relation between structure and efficiency of pethidine analgesics
- 喜樹(shù)堿的結構修飾與構效關(guān)系Structural Modification and Seructure- activity Relationships of Camptothecin
- 兒茶素抗氧化活性的構效關(guān)系Study of the relationship between structures and antioxidative activities of catechin
- 多氯聯(lián)苯熱力學(xué)性質(zhì)的構效關(guān)系QSPR research of thermodynamic properties of polychlorinated biphenyl
- 氟喹諾酮構效關(guān)系研究的新進(jìn)展Recent Progress in Structure-Activity Relationship of Antibacterial Fluoroquinolones
