QSAR计算中的分子连接性指数法

环境化学

QSAR计算中的分子连接性指数法

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戴树桂, 黄国兰, 孙红文, 张育红, 韩朔睽, 赵元慧, 王连生. QSAR计算中的分子连接性指数法[J]. 环境化学, 1994, 13(3): 242-245.

引用本文:

戴树桂, 黄国兰, 孙红文, 张育红, 韩朔睽, 赵元慧, 王连生. QSAR计算中的分子连接性指数法[J]. 环境化学, 1994, 13(3): 242-245.

Dai Shugui, Huang Quolan, Sun Hongwen, Zhang Yuhong, Han Shuokui, Zhao Yuankui, Wang Liansheng. MOLECULAR CONNECTIVITY METHOD IN QSAR RESEARCH[J]. Environmental Chemistry, 1994, 13(3): 242-245.

Citation:

Dai Shugui, Huang Quolan, Sun Hongwen, Zhang Yuhong, Han Shuokui, Zhao Yuankui, Wang Liansheng. MOLECULAR CONNECTIVITY METHOD IN QSAR RESEARCH[J]. Environmental Chemistry, 1994, 13(3): 242-245.

QSAR计算中的分子连接性指数法

1.
南开大学环境科学系, 天津300071;
2.
南京大学环境科学与工程系, 南京210008
中图分类号: O621.1

MOLECULAR CONNECTIVITY METHOD IN QSAR RESEARCH

1.
Department of Enuivonmental Science, Nankai University, Ttanjin, 300071;
2.
Department of Environmental Science and Engineering, Nanjing University, Nanjing, 210008

摘要: 本文介绍了分子连接性指数法的原理及各阶指数的计算方法,以及在QSAR计算中的应用实例,并对特殊连接性指数的用法作了分析.
- 定量构效关系 /
- 分子连接性指数 /
- 生物毒性 /
- 分子摩尔折射
Abstract: The paper describes the theory of molecular connectivity and the method of calculating the molecular connectivity indices(MCI). Good relationships were developed between MCI and the toxicity of 10 chlorobenzenes to green algae, and between MCIs with the molar refractivity of 47 organotin compounds.
- quantitative structure-activity relationships /
- molecular connectivity indices /
- toxicity /
- molar refractivity

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戴树桂, 黄国兰, 孙红文, 张育红, 韩朔睽, 赵元慧, 王连生. QSAR计算中的分子连接性指数法[J]. 环境化学, 1994, 13(3): 242-245.

引用本文:

戴树桂, 黄国兰, 孙红文, 张育红, 韩朔睽, 赵元慧, 王连生. QSAR计算中的分子连接性指数法[J]. 环境化学, 1994, 13(3): 242-245.

Dai Shugui, Huang Quolan, Sun Hongwen, Zhang Yuhong, Han Shuokui, Zhao Yuankui, Wang Liansheng. MOLECULAR CONNECTIVITY METHOD IN QSAR RESEARCH[J]. Environmental Chemistry, 1994, 13(3): 242-245.

Citation:

Dai Shugui, Huang Quolan, Sun Hongwen, Zhang Yuhong, Han Shuokui, Zhao Yuankui, Wang Liansheng. MOLECULAR CONNECTIVITY METHOD IN QSAR RESEARCH[J]. Environmental Chemistry, 1994, 13(3): 242-245.

QSAR计算中的分子连接性指数法

1. 南开大学环境科学系, 天津300071;
2. 南京大学环境科学与工程系, 南京210008

关键词:

摘要: 本文介绍了分子连接性指数法的原理及各阶指数的计算方法,以及在QSAR计算中的应用实例,并对特殊连接性指数的用法作了分析.

English Abstract

MOLECULAR CONNECTIVITY METHOD IN QSAR RESEARCH

1. Department of Enuivonmental Science, Nankai University, Ttanjin, 300071;
2. Department of Environmental Science and Engineering, Nanjing University, Nanjing, 210008

Keywords:

quantitative structure-activity relationships /
molecular connectivity indices /
toxicity /
molar refractivity

Abstract: The paper describes the theory of molecular connectivity and the method of calculating the molecular connectivity indices(MCI). Good relationships were developed between MCI and the toxicity of 10 chlorobenzenes to green algae, and between MCIs with the molar refractivity of 47 organotin compounds.

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