| 环境污染物分子结构与毒性关系专家系统 |
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| 引用本文： | 全英,白乃彬.环境污染物分子结构与毒性关系专家系统[J].北京工业大学学报,1995,21(1):104-110. |
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| 作者姓名： | 全英 白乃彬 |
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| 作者单位： | 北京工业大学计算机科学系，中国科学院生态环境研究中心 |
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| 摘 要： | 介绍了用于环境污染物结构毒性关系研究的软件，做为软件性能的检验，也进行了６２种氮杂环芳胺及其致变活性关系的实例研究。发现：专家系统应用近于自然语言的规则形式易于表达特殊分子结构对毒性有明显激活或抑活效应的知识，而此种作用是难于用数值描述的。专家系统不失为环境污染物构效关系的良好模式之一。
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| 关 键 词： | 专家系统，氮杂环芳胺，致变活性 |
A Study of the QSAR (Quantitative Structural Activity Relationship) on Enviromental Pollution Using an Expert System |
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| Quan Ying.A Study of the QSAR (Quantitative Structural Activity Relationship) on Enviromental Pollution Using an Expert System[J].Journal of Beijing Polytechnic University,1995,21(1):104-110. |
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| Authors: | Quan Ying |
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| Abstract: | In this paper, an expert software system for the study of the QSAR on environmental pollution is introduced.The case study of the QSAR of 62 heterocyclic amines has been carried out.To test the functionality of the software,the results of the study show that,using logical rules,the expert system is able to determine the enhanced or inhibited effects of particular molecular structures;however,those effects are very difficult to determine as numerical values.Thus,in some cases,the expert system is a better QSAR model than the traditional numerical value models. |
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| Keywords: | expert system heterocyclic amines QSAR(Quantitative Structural Activity Relationship) |
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