| 基于改进TLSER模型的定量结构-疏水性关系 |
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| 引用本文： | 王海军,邹建卫,黄美兰,商志才,俞庆森. 基于改进TLSER模型的定量结构-疏水性关系[J]. 计算机与应用化学, 2002, 19(4): 520-521 |
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| 作者姓名： | 王海军 邹建卫 黄美兰 商志才 俞庆森 |
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| 作者单位： | 浙江绍兴文理学院化学系,绍兴,310000;浙江大学化学系,杭州,310027 |
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| 摘 要： | 针对理论线性溶剂化能关系模型中氢键碱度的描述进行了改进,应用于一类结构独特的多环七碳化合物及其衍生物的定量结构－疏水性关系的研究中,取得了较为满意的结果。
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| 关 键 词： | 理论线性溶剂化能关系 QSPR 分配系数 |
| 文章编号： | 1001-4160(2002)04-520-521 |
| 修稿时间： | 2001-07-10 |
A QSPR Study on n-Octanol/Water Partition Coefficients of Cyclic C - 7 Hydrocarbons and their Derivatives based on Modified TLSER Model |
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| WANG Hai-jun,ZOU Jian-wei,HUANG Mei-lan,SHANG Zhi-cai,YU Qing-sen. A QSPR Study on n-Octanol/Water Partition Coefficients of Cyclic C - 7 Hydrocarbons and their Derivatives based on Modified TLSER Model[J]. Computers and Applied Chemistry, 2002, 19(4): 520-521 |
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| Authors: | WANG Hai-jun ZOU Jian-wei HUANG Mei-lan SHANG Zhi-cai YU Qing-sen |
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| Abstract: | Unreasonable expression of hydrogen basicity for complicated compounds in theoretical linear solvation energy relationship (TLSER) have been modified, and a subsequent quantitative structure - hydrophobic property relationship for cycli C - 7 hydrocarbons and their derivatives has been established. |
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| Keywords: | linear solvation energy relationship (LSER) QSPR partition coefficient |
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