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题名: A quantitative structure-activity relationship study of antifungal analogues of 3,4-substituted 5-((1H-1, 2, 4-triazol-1-yl)methyl)-4H-1,2,4-triazole
作者: Xu, Liang-Zhong; Yu, Guan-Ping; Bi, Wen-Zhao; Aisa, Haji Akber
关键词: Antifungal ; Triazole ; Quantitative structure-activity relationship (QSAR)
刊名: STRUCTURAL CHEMISTRY
发表日期: 2008
DOI: 10.1007/s11224-008-9381-0
卷: 19, 期:6, 页:959-965
收录类别: SCI
摘要: A series of 5-((1H-1, 2, 4-triazol-1-yl)methyl)-4H-1,2,4-triazole derivatives were prepared and evaluated for their antifungal activities. Quantitative structure activity relationship studies were performed on these compounds using physicochemical parameters as independent parameters and antifungal activity as a dependent parameter, where antifungal activity correlated best ( correlation coefficient r > 0.8) with physicochemical parameters (Hammett's constants sigma(p), F) and van der Waals volume V(1). Results are interpreted on the basis of multiple regression and cross-validation methodology. 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/365002/4084
Appears in Collections:资源化学研究室_期刊论文

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A quantitative structure-activity relationship study of antifungal analogues of 3,4-substituted 5-((1H-1, 2, 4-triazol-1-yl)methyl)-4H-1,2,4-triazole.pdf(315KB)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:
Xu, Liang-Zhong,Yu, Guan-Ping,Bi, Wen-Zhao,et al. A quantitative structure-activity relationship study of antifungal analogues of 3,4-substituted 5-((1H-1, 2, 4-triazol-1-yl)methyl)-4H-1,2,4-triazole[J]. STRUCTURAL CHEMISTRY,2008,19(6):959-965.
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文件名: A quantitative structure-activity relationship study of antifungal analogues of 3,4-substituted 5-((1H-1, 2, 4-triazol-1-yl)methyl)-4H-1,2,4-triazole.pdf
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