化学信息学实验室
2013年发表的部分论文目录
2019
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2018
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2017
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2016
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2015
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2014
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2013
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2012
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2011
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2010
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2009
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2008
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2007
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2006
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2005
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2004
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2003
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2002
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2001
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2000
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1999
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1998
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1997
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1996
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1995
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Books
2013
[1] |
蔡文生, Christophe Chipot |
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高性能大规模分子动力学的前沿进展——近35年生物体系的分子动力学模拟研究回顾 |
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化学学报, 2013, 71(02):159-168 |
[2] |
Cai-Jing Cui, Wen-Sheng Cai, Xue-Guang Shao |
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Near-infrared diffuse reflectance spectroscopy with sample spots and chemometrics for fast determination of bovine serum albumin in micro-volume samples |
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Chinese Chemical Letters, 2013, 24:67-69 |
[3] |
Yan Liu, Wensheng Cai, Xueguang Shao |
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Intelligent background correction using an adaptive lifting wavelet |
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Chemometrics and Intelligent Laboratory Systems, 2013, 125:11-17 |
[4] |
Weiwei Yu, Wensheng Cai, Xueguang Shao |
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Fast determination of phenanthrene in soil by gas chromatography - mass spectrometry using chemometric resolution and standard addition method |
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Chinese Journal of Chemistry, 31(4): 545-550 |
[5] |
梅桢,蔡文生,邵学广 |
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免疫算法用于复杂样品 GC-MS 快速分析 |
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高等学校化学学报, 2013, 34(4):819-822 |
[6] |
王毅, 马翔, 温亚东, 邹泉, 王俊, 涂家润, 蔡文生, 邵学广 |
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近红外光谱与多元统计方法用于生产过程实时分析 |
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光谱学与光谱分析, 2013, 33(5):1226-1229 |
[7] |
刘鹏,邵学广,蔡文生 |
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准轮烷/轮烷在药物载体中的应用 |
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化学进展, 2013, 25(5): 692-697 |
[8] |
Xi Wu, Weiwei Yu, Xiangyu Luo, Wensheng Cai, Xueguang Shao |
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Chemometric Resolution for Rapid Determination of Prometryn in Leek Samples Using GC–MS |
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Chromatographia, 2013, 76: 849–855 |
[9] |
Jia He, Christophe Chipot, Xueguang Shao, and Wensheng Cai |
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Cyclodextrin-Mediated Recruitment and Delivery of Amphotericin B |
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Journal of Physical Chemistry C, 2013, 117(22): 11750–11756 |
[10] |
Zhen Mei, Guorong Du, Wensheng Cai, Xueguang Shao |
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A chemometric method to identify selective ion for resolution of overlapping gas chromatography-mass |
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Science China Chemistry, 2013, 56(5): 656-663 |
[11] |
梅桢, 蔡文生, 邵学广 |
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一种新型交替迭代算法用于农药GC-MS信号快速分析 |
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化学学报, 2013, 71: 729-732 |
[12] |
Weiwei Yu, Wensheng Cai, Xueguang Shao |
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Chemometric approach for fast analysis of prometryn in human hair by GC-MS |
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Journal of Separation Science, 2013, 36(14): 2277-2282 |
[13] |
Zhiyi Mao, Wensheng Cai, Xueguang Shao |
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Selecting significant genes by randomization test for cancer classification using gene expression data |
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Journal of Biomedical Informatics, 2013, 46(4): 594-601 |
[14] |
Yan Liu, Yu Ning, Wensheng Cai, Xueguang Shao |
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Micro-analysis by near-infrared diffuse reflectance spectroscopy with chemometric method |
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Analyst, 2013, 138(21): 6617 – 6622 |
[15] |
Fengxia Liu, Wensheng Cai, Xueguang Shao |
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Selective determination of mercury (II) ion in water by near-infrared diffuse reflectance spectroscopy with the aids of preconcentration and multivariate calibration |
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Vibrational Spectroscopy, 2013, 68: 104-108 |
[16] |
Jiarun Tu, Wensheng Cai, Xueguang Shao |
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Direct separation of faradaic and double layer charging current in potential step voltammetry |
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Talanta, 2013, 116: 575-580 |