[1]李光亚.取代苯基乳酸的化学结构及其抗缺氧活性关系的研究[J].深圳大学学报理工版,1989,(3):13-22.
 Li Guangya.A Study on QSAR Equations of Tolerance of Oxygen Deficit of Substituted Phenyl-lactic Acids[J].Journal of Shenzhen University Science and Engineering,1989,(3):13-22.
点击复制

取代苯基乳酸的化学结构及其抗缺氧活性关系的研究()
分享到:

《深圳大学学报理工版》[ISSN:1000-2618/CN:44-1401/N]

卷:
期数:
1989年3期
页码:
13-22
栏目:
环境与能源
出版日期:
1989-09-30

文章信息/Info

Title:
A Study on QSAR Equations of Tolerance of Oxygen Deficit of Substituted Phenyl-lactic Acids
作者:
李光亚
深圳大学应用化学系
Author(s):
Li Guangya
文献标志码:
A
摘要:
作者选择了 11 种具有杭低压缺载活性和抗常压缺氧活性的β - 取代苯基乳酸进行 QSAR 关系的研究,用 CNDO/2 法计算确定该类化合物的优势构象,并用 10 种取代的β - 苯基乳酸的 25 种量子化学参数进行 R 型聚类分析,选出了其中 7 种参数,然后用逐步回归分析法,建立了此类参数与两类药理活性的 QSAR 关系式 ; 亦用逐步回归分析法,建立了 11i 种β - 取代苯基乳酸的 9 种物理化学参数与两类药理活性的 QSAR 关系式。这些关系式对具有此两类活性的新的β - 取代苯基乳酸的合成有一定的意义。
Abstract:
Some Substituted phenyl-lactic acids had significant tolerance to low pressure of oxygen deficit and normal pressure of oxygen deficit. The preferential conformation and the parameters of quantum chemistry were calculated by CNDO/2 method. The R type cluster analysis of proposed 25 quantum chemical parameters were carried out, and seven of them were selected. By stepwise regression analysis QSAR equations of two types of tolerance to oxygen deficit were calculated with quantum chemical parameters and physical chemical parameters .These QSAR equations could be used for prediction of pharmacological activities of new compounds of Substituted phenyl-lactic acids.
更新日期/Last Update: 2016-05-16