化学信息学实验室
2007年发表的部分论文目录
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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
2007
[1] |
Da Chen, Wensheng Cai, Xueguang Shao |
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An adaptive strategy for selecting representative calibration samples in the continuous wavelet domain for near-infrared spectral analysis |
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Analytical and Bioanalytical Chemistry, 2007, (387):1041-1048 |
[2] |
Lin Yi, Cai Wensheng, Shao Xueguang |
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Semiempirical study on the stability of single-walled carbon nanotubes with different sizes |
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计算机与应用化学,2007, 24(1):97-102 |
[3] |
许磊,蔡文生, 邵学广 |
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C80-C90富勒烯结构与稳定性的理论研究 |
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计算机与应用化学,2007, 24(1):103-106 |
[4] |
Zhenqiang Su, Huixiao Hong, Roger Perkins, Xueguang Shao, Wensheng Cai, Weida Tong |
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Consensus analysis of multiple classifiers using non-repetitive variables: Diagnostic application to microarray gene expression data |
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Computational Biology and Chemistry, 2007, 31:48-56 |
[5] |
李艳坤,邵学广,蔡文生 |
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基于多模型共识的偏最小二乘法用于近红外光谱定量分析 |
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高等学校化学学报, 2007, 28(2):246-249 |
[6] |
Longjiu Cheng, Wensheng Cai, Xueguang Shao |
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A conformational analysis method for understanding the energy landscapes of clusters |
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ChemPhysChem, 2007, 8(4): 569-577 |
[7] |
Yankun Li, Xueguang Shao, Wensheng Cai |
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A consensus least squares support vector regression (LS-SVR) for analysis of near-infrared spectra of plant samples |
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Talanta, 2007, 72(1): 217-222 |
[8] |
Xiaoli Yang, Wensheng Cai, Xueguang Shao |
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A dynamic lattice searching method with constructed core for optimization of large Lennard-Jones clusters |
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Journal of Computational Chemistry, 2007, 28(8):1427-1433 |
[9] |
Da Chen, Wensheng Cai, Xueguang Shao |
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Representative subset selection in modified iterative predictor weighting (mIPW) – PLS models for parsimonious multivariate calibration |
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Chemometrics and Intelligent Laboratory Systems, 2007, 87(2):312-318 |
[10] |
Xiaoli Yang, Wensheng Cai, Xueguang Shao |
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Structural variation of silver clusters from Ag13 to Ag160 |
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Journal of Physical Chemistry A, 2007, 111(23):5048-5056 |
[11] |
李福娟 蔡文生 邵学广 |
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反相高效液相色谱法分离测定烟草中的多酚类化合物 |
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色谱,2007, 25(4):565-568 |
[12] |
Da Chen, Wensheng Cai, Xueguang Shao |
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Removing uncertain variables based on ensemble partial least squares |
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Analytica Chimica Acta, 2007, 598(1):19-26 |
[13] |
Lei Xu, Wensheng Cai and Xueguang Shao |
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Performance of the semiempirical AM1, PM3, MNDO, and tight-binding methods in comparison with DFT method for the large fullerenes C116–C120 |
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Journal of Molecular Structure: THEOCHEM, 2007, 817(1-3):35-41 |
[14] |
Wei Wang, Wensheng Cai, Xueguang Shao |
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A post-modification approach to independent component analysis for resolution of overlapping GC/MS signals: from independent components to chemical components |
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Science in China Series B: Chemistry, 2007, 50(4):530-537 |
[15] |
苏振强, Hong Hui-Xiao, Tong Wei-Da, Perkins Roger, 邵学广, 蔡文生 |
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不相交主成分分析(PCA)和遗传算法(GA)用于差异表达基因的识别 |
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高等学校化学学报,2007, 28(9):1640-1644 |
[16] |
林翼,蔡文生,邵学广 |
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改进的紧束缚势蒙特卡罗方法及其在碳纳米豆荚中的应用 |
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高等学校化学学报,2007, 28(9):1751-1755 |