| QSAR及其在农药设计中的应用和进展 |
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| 引用本文： | 钟国华,胡美英.QSAR及其在农药设计中的应用和进展[J].农药学学报,2001,3(2):1-11. |
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| 作者姓名： | 钟国华 胡美英 |
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| 作者单位： | 1.华南农业大学昆虫毒理研究室, 广州 510642 |
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| 基金项目： | 国家自然科学基金! (39870 4 4 0 )资助项目 |
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| 摘 要： | 在介绍定量结构 -活性关系 (QSAR)的基本原理后 ,重点评述了 QSAR各种方法的主要原理、优缺点及其在农药设计中的研究应用进展 ,包括取代基多参数法 (Hansch法 )、Free- Wilson法、分子轨道法 (MO)、距离比较法 (DISCO)、比较分子力场分析法 (Co MFA)、分子模拟法 (MS)、分子对接法 (MD)、人工神经网络法 (ANN)以及 Leapfrog法等。
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| 关 键 词： | 定量结构-活性关系(QSAR) 农药设计 |
QSAR and Its Application and Advance in Pesticide Design |
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| Zhong Guo-hua and Hu Mei-ying.QSAR and Its Application and Advance in Pesticide Design[J].Chinese Journal of Pesticide Science,2001,3(2):1-11. |
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| Authors: | Zhong Guo-hua and Hu Mei-ying |
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| Institution: | 1.Laboratory of Insect Toxicology |
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| Abstract: | The basic principles of quantitative structure activity relationship(QSAR)was introduced, The paper put emphasis on the main principles, the advance of research and application of QSAR analysis methods for pesticide design, as well as their advantage and disadvantage, including Hansch, Free Wilson, Molecular orbitial (MO), Distance Comparisons (DISCO), Comparison molecular field analysis (CoMFA), Molecular similarity (MS), Molecular dock (MD), Artificial naural network(ANN), and Leapfrog methods. Some suggestions were provided for QSAR. |
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| Keywords: | Quantitative structure activity relationship(QSAR) Pesticide design |
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