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学科主题: Chemistry ; Crystallography
题名: Synthesis and QSAR studies on 1-[(5-substituted-1,3,4-thiadiazol-2-yl)methyl]-1H-1,2,4-triazole as antifungal agents
作者: Yu Guan-Ping; Bi Wen-Zhao; Si Guo-Dong; Yang Ya-Xun; Aisa Haji Akber; Xu Liang-Zhong
关键词: Antifungal ; Triazole ; Quantitative structure-activity relationship (QSAR) ; Cross-validation
刊名: STRUCTURAL CHEMISTRY
发表日期: 2009
DOI: 10.1007/s11224-008-9404-x
卷: 20, 期:4, 页:569-576
收录类别: SCI
摘要: A series of 1-(1,3,4-thiadiazol-2-yl)methyl-1H-1,2,4-triazole derivatives were prepared and evaluated for their antifungal activities. The chemical structures of these compounds were determined by means of elemental analyses, (1)H NMR, and X-ray crystallography. Quantitative structure-activity relationship (QSAR) studies were performed on these compounds using physicochemical parameters as independent parameters and antifungal activity as a dependent parameter, where antifungal activity correlated best (r > 0.9) with hydrophobic parameters (pi) and indicator (H). Moreover, the results are interpreted on the basis of a multiple regression model. The model has been internally and externally validated. Furthermore, the domain of applicability which indicates the area of reliable predictions is defined.
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内容类型: 期刊论文
URI标识: http://ir.xjipc.cas.cn/handle/365002/1881
Appears in Collections:资源化学研究室_期刊论文

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synthesis and qsar studies on 1-(5-substituted-1,3,4-thiadiazol-2-yl)methyl-1h-124triazole as antifungal agents.pdf(353KB)期刊论文作者接受稿开放获取View 联系获取全文

作者单位: Qingdao Univ Sci & Technol, Coll Chem & Mol Engn, Qingdao 266042, Peoples R China;Chinese Acad Sci, Xinjiang Tech Inst Phys & Chem, Urumqi 830011, Peoples R China;Chinese Acad Sci, Grad Sch, Beijing 100039, Peoples R China

Recommended Citation:
Yu Guan-Ping,Bi Wen-Zhao,Si Guo-Dong,et al. Synthesis and QSAR studies on 1-[(5-substituted-1,3,4-thiadiazol-2-yl)methyl]-1H-1,2,4-triazole as antifungal agents[J]. STRUCTURAL CHEMISTRY,2009,20(4):569-576.
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文件名: synthesis and qsar studies on 1-(5-substituted-1,3,4-thiadiazol-2-yl)methyl-1h-124triazole as antifungal agents.pdf
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