| 查看: 135 | 回复: 1 | |||
| 当前主题已经存档。 | |||
lorna639木虫 (著名写手)
|
[交流]
请大家帮忙查一下这篇论文是否被SCI收录，收录号是多少
|
||
| Li Xiao-Hong et al. Quantitative structure-activity relationship of TIBO HIV-1 inhibitors. Chinese J. Struct. Chem. 2007,26(8): 889. |
回复此楼» 猜你喜欢
求助一下有机合成大神
已经有3人回复
-
拟解决的关键科学问题还要不要写
已经有8人回复
-
最失望的一年
已经有13人回复
-
存款400万可以在学校里躺平吗
已经有30人回复
-
求推荐英文EI期刊
已经有5人回复
-
请教限项目规定
已经有4人回复
-
国自然申请面上模板最新2026版出了吗？
已经有20人回复
-
26申博
已经有3人回复
-
基金委咋了？2026年的指南还没有出来？
已经有10人回复
-
基金申报
已经有6人回复
sanshyuan 
捐助贵宾 (著名写手)
- 应助: 8 (幼儿园)
- 贵宾: 0.001
- 金币: 2883.8
- 散金: 12412
- 红花: 3
- 帖子: 2897
- 在线: 482.7小时
- 虫号: 543520
- 注册: 2008-04-11
- 专业: 机械测试理论与技术
★ ★
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
|
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