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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
Xu, Liang-Zhong; Yu, Guan-Ping; Bi, Wen-Zhao; Aisa, Haji Akber
2008
发表期刊STRUCTURAL CHEMISTRY
ISSN1040-0400
卷号19期号:6页码:959-965
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.
关键词Antifungal Triazole Quantitative Structure-activity Relationship (Qsar)
DOI10.1007/s11224-008-9381-0
收录类别SCI
WOS记录号WOS:000261037700012
引用统计
被引频次:3[WOS]   [WOS记录]     [WOS相关记录]
文献类型期刊论文
条目标识符http://ir.xjipc.cas.cn/handle/365002/4084
专题资源化学研究室
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
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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.
APA Xu, Liang-Zhong,Yu, Guan-Ping,Bi, Wen-Zhao,&Aisa, Haji Akber.(2008).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.STRUCTURAL CHEMISTRY,19(6),959-965.
MLA Xu, Liang-Zhong,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".STRUCTURAL CHEMISTRY 19.6(2008):959-965.
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