| 苯甲酸类化合物小鼠经口LD50定量构效关系的研究 |
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| 引用本文： | 李佐静,闫心丽,孙也之,孟繁浩. 苯甲酸类化合物小鼠经口LD50定量构效关系的研究[J]. 分子科学学报, 2007, 23(5): 332-335 |
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| 作者姓名： | 李佐静 闫心丽 孙也之 孟繁浩 |
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| 作者单位： | 1. 沈阳药科大学基础学院,辽宁,沈阳,110016
2. 中国医科大学药学院,辽宁,沈阳,110001 |
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| 基金项目： | 国家自然科学基金资助项目(30571591) |
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| 摘 要： | 采用化合物定量结构-毒性效应关系(QSTR)方法研究了39个苯甲酸类化合物的各种量化参数对小鼠经口急性毒性(LD50)的影响,并建立了毒性预测模型.为了得到更准确的毒性预测模型,各个参数的交叉项同时考虑在内,利用线性回归方法得到了苯甲酸类化合物小鼠经口急性毒性预测模型(相关系数为0.958 2).该模型具有很好的预测能力.
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| 关 键 词： | 苯甲酸类化合物 构效关系 线性模型 毒性预测 |
| 文章编号： | 1000-9035（2007）05-0332-04 |
| 修稿时间： | 2007-04-20 |
Study on the quantitative structure-toxicity relationships of benzoic acid compounds in mouse via oral LD50 |
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| LI Zuo-jing,YAN Xin-li,SUN Ye-zhi,MENG Fan-hao. Study on the quantitative structure-toxicity relationships of benzoic acid compounds in mouse via oral LD50[J]. Journal of Molecular Science, 2007, 23(5): 332-335 |
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| Authors: | LI Zuo-jing YAN Xin-li SUN Ye-zhi MENG Fan-hao |
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| Affiliation: | 1. School of foundation, Shenyang Pharmaceutical University, Liaoning Shenyang 110016, China 2. School of Pharmacy,China Medical University, Liaoning Shenyang 110001 ,China |
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| Abstract: | The effect of quantum chemistry parameters on the toxicity of benzoic acid compounds in mouse via oral LD50 was studied by Quantitative Structure-Toxicity Relationships(QSTR),and the model which predicts the toxicity of benzoic acid compounds was built.In order to get the accurate model,the cross factors was considered and the model for predicting the toxicity of benzoic acid compounds in mouse via oral LD50 was built using linear regression model method. |
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| Keywords: | benzoic acid compounds QSTR linear model toxicity prediction |
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