用分子连接指数研究氯代芳香族化合物对绿藻的毒性及QSAR分析

环境化学

用分子连接指数研究氯代芳香族化合物对绿藻的毒性及QSAR分析

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张爱茜, 魏东斌, 王连生. 用分子连接指数研究氯代芳香族化合物对绿藻的毒性及QSAR分析[J]. 环境化学, 2000, 19(3): 220-224.

引用本文:

张爱茜, 魏东斌, 王连生. 用分子连接指数研究氯代芳香族化合物对绿藻的毒性及QSAR分析[J]. 环境化学, 2000, 19(3): 220-224.

Zhang Aiqian, Wei Dongbin, Wang Liansheng. QSAR RESEARCH ON TOXICITY OF CHLORINATED AROMATIC COMPOUNDS TO GREEN ALGAE BASED OF MOLECULAR CONNECTIVITY INDICES[J]. Environmental Chemistry, 2000, 19(3): 220-224.

Citation:

Zhang Aiqian, Wei Dongbin, Wang Liansheng. QSAR RESEARCH ON TOXICITY OF CHLORINATED AROMATIC COMPOUNDS TO GREEN ALGAE BASED OF MOLECULAR CONNECTIVITY INDICES[J]. Environmental Chemistry, 2000, 19(3): 220-224.

用分子连接指数研究氯代芳香族化合物对绿藻的毒性及QSAR分析

1.
南京大学环境科学与工程系, 污染控制与资源化国家重点实验室, 南京, 210093
基金项目:
国家自然科学基金重点项目(批准号:298371802)

国家自然科学基金资助项目(批准号:29877012)

高等学校博士学科点专项科研基金(98028407)资助课题

QSAR RESEARCH ON TOXICITY OF CHLORINATED AROMATIC COMPOUNDS TO GREEN ALGAE BASED OF MOLECULAR CONNECTIVITY INDICES

1.
Department of Environmental Science and Engineering, Nanjing University, State Key Laboratory of Pollution Control and Resource Reuse, Nanjing, 210093
Fund Project:

摘要: 本文测定了一批氯代芳香族化合物对羊角月牙藻的急性毒性,运用分子连接性指数分析了化合物结构与其毒性之间的定量关系,并用逐一抽取法检验比较了模型的稳健性.
- 绿藻 /
- 氯代芳香族化合物 /
- 定量结构活性关系 /
- 模型稳健性
Abstract: The toxicities of a batch of chlorinated aromatic commpounds to Selenastrum capricornutum were determined, and relationships between their chemical structure and toxicity data were investigated based on molecular connectivity indices. Furthermore, Leave-one-out tests were applied to examine the robustness of the prediction model.
- green algae /
- chlorinated aromatic compounds /
- quantitative structure-actively relationships /
- robustness

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用分子连接指数研究氯代芳香族化合物对绿藻的毒性及QSAR分析

1. 南京大学环境科学与工程系, 污染控制与资源化国家重点实验室, 南京, 210093

收稿日期: 1999-07-01

基金项目:

国家自然科学基金重点项目(批准号:298371802)

国家自然科学基金资助项目(批准号:29877012)

高等学校博士学科点专项科研基金(98028407)资助课题

关键词:

摘要: 本文测定了一批氯代芳香族化合物对羊角月牙藻的急性毒性,运用分子连接性指数分析了化合物结构与其毒性之间的定量关系,并用逐一抽取法检验比较了模型的稳健性.

English Abstract

QSAR RESEARCH ON TOXICITY OF CHLORINATED AROMATIC COMPOUNDS TO GREEN ALGAE BASED OF MOLECULAR CONNECTIVITY INDICES

1. Department of Environmental Science and Engineering, Nanjing University, State Key Laboratory of Pollution Control and Resource Reuse, Nanjing, 210093

Received Date: 1999-07-01

Fund Project:

Keywords:

green algae /
chlorinated aromatic compounds /
quantitative structure-actively relationships /
robustness

Abstract: The toxicities of a batch of chlorinated aromatic commpounds to Selenastrum capricornutum were determined, and relationships between their chemical structure and toxicity data were investigated based on molecular connectivity indices. Furthermore, Leave-one-out tests were applied to examine the robustness of the prediction model.

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