A QSAR of the toxicity of amino-benzenes and their structures
文献类型:期刊论文
作者 | Lu X ; Wu YP ; Hu CY ; Li H |
刊名 | science in china series b-chemistry
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出版日期 | 2000 |
卷号 | 43期号:2页码:129-136 |
关键词 | MOLECULAR-FIELD ANALYSIS TOPOLOGICAL INDEXES ORGANIC-COMPOUNDS |
ISSN号 | 1006-9291 |
通讯作者 | lu x |
中文摘要 | the quantum chemical parameters and the topological indices have been calculated for the prediction of the toxicity of amino-benzenes in the environment, and work has been done on the multiple regression and neural networks. the combination of comfa with formation heat yields greatly improved results. a good model has been obtained which provides a basis for the studies of the toxic action mechanism. |
收录类别 | SCI收录期刊论文 |
语种 | 英语 |
WOS记录号 | WOS:000086745700003 |
公开日期 | 2010-11-04 |
源URL | [http://202.98.16.49/handle/322003/19773] ![]() |
专题 | 长春应用化学研究所_长春应用化学研究所知识产出_期刊论文 |
推荐引用方式 GB/T 7714 | Lu X,Wu YP,Hu CY,et al. A QSAR of the toxicity of amino-benzenes and their structures[J]. science in china series b-chemistry,2000,43(2):129-136. |
APA | Lu X,Wu YP,Hu CY,&Li H.(2000).A QSAR of the toxicity of amino-benzenes and their structures.science in china series b-chemistry,43(2),129-136. |
MLA | Lu X,et al."A QSAR of the toxicity of amino-benzenes and their structures".science in china series b-chemistry 43.2(2000):129-136. |
入库方式: OAI收割
来源:长春应用化学研究所
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