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lorna639木虫 (著名写手)
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请大家帮忙查一下这篇论文是否被SCI收录，收录号是多少
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| Li Xiao-Hong et al. Quantitative structure-activity relationship of TIBO HIV-1 inhibitors. Chinese J. Struct. Chem. 2007,26(8): 889. |
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捐助贵宾 (著名写手)
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lorna639(金币+2,VIP+0):多谢了 10-28 17:36
lorna639(金币+2,VIP+0):多谢了 10-28 17:36
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作者: Xiao-Hong L (Xiao-Hong, Li), Rui-Zhou Z (Rui-Zhou, Zhang), Xin-Lu C (Xin-Lu, Cheng), Xiang-Dong Y (Xiang-Dong, Yang) 来源出版物: CHINESE JOURNAL OF STRUCTURAL CHEMISTRY 卷: 26 期: 8 页: 889-896 出版年: 2007 被引频次: 0 参考文献: 35 引证关系图 摘要: Density functional theory (DFT) was used to calculate a set of molecular descriptors (properties) for 14 TIBO derivatives with anti-HIV activity. Principal component analysis (PCA) and hierarchical cluster analysis (HCA) were employed in order to reduce dimensionality and investigate which subset of variables should be more effective for classifying TIBO derivatives according to their degree of anti-HIV activity. The PCA showed that the E-HOMO, mu, LogP, Q(A),Q(B) and MR variables are responsible for the separation between compounds with higher and lower anti-HIV activity. The HCA results are similar to those obtained with PCA. By using the chemometric results, four synthetic compounds were analyzed through PCA and HCA and three of them are proposed as active molecules against HIV, which is consistent with the results of clinic experiments. The methodologies of PCA and HCA provide a reliable rule for classifying new TIBO derivatives with anti-HIV activity. The model obtained showed not only statistical significance but also predictive ability. 文献类型: Article 语言: English 作者关键词: structure-activity relationship; DFT; PCA; HCA KeyWords Plus: REVERSE-TRANSCRIPTASE; 8-CL TIBO; INFECTIONS; DERIVATIVES; PREDICTION; ENERGIES; DENSITY; NNRTIS; QSAR; RT 通讯作者地址: Xiao-Hong, L (通讯作者), Henan Univ Sci & Technol, Coll Sci, Luoyang 471003, Peoples R China 地址: 1. Henan Univ Sci & Technol, Coll Sci, Luoyang 471003, Peoples R China 2. Sichuan Univ, Inst Atom & Mol Phys, Chengdu 610065, Peoples R China 电子邮件地址: loma639@163.com 出版商: CHINESE JOURNAL STRUCTURAL CHEMISTRY, FUIJAN INST RES STRUCT MATTER, CHINESE ACAD SCIENCES, FUZHOU, FUJIAN 350002, PEOPLES R CHINA 学科类别: Chemistry, Inorganic & Nuclear; Crystallography IDS 号: 207OY ISSN: 0254-5861 已检索了！ |
2楼2009-10-28 16:07:07