化学信息学实验室
2003年发表的部分论文目录

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2003

[1]	王蕾 徐智秀 张孝松 邵学广
	反相高效液相色谱法快速测定7种四环素类抗生素
	分析化学，2003, 32(1):52-54

[2]	李梅青, 盛旋, 邵学广
	反相高效液相色谱法用于葛根黄酮提取物的分离与主要活性成分的测定
	分析化学，2003, 31(2):178-180

[3]	Wei Min GUO, Yu An SUN, Xiao Jing WU, Wen Sheng CAI,Xue Guang SHAO, Zhong Xiao PAN
	A novel approach to improve the detectability of CO2 by GC analysis
	Chinese Chemical Letters, 2003, 14(2):181-184

[4]	Xueguang Shao, Zhengliang Yu, Li Sun
	Immune algorithms in analytical chemistry
	TrAC Trends in Analytical Chemistry, 2003, 22(2): 59-69 IF2001 = 4.260; IF2002 = 4.284 doi:10.1016/S0165-9936(03)00205-X

[5]	Xueguang Shao, Alexander Kai-Man Leung, Foo-Tim Chau
	Wavelet: a new trend in chemistry
	Accounts of Chemical Research, 2003, 36(4):276-283 doi:10.1021/ar990163w IF2001 = 12.781; IF2002 = 15.901 The Alchemist: New Kid on the Block Making Waves, http://www.chemweb.com/alchem/articles/1044877188226.html

[6]	Xueguang Shao, Zhengliang Yu, Li Sun
	Resolution of multicomponent NMR signals using wavelet compression and immune algorithm
	Spectrochimica Acta Part A: Molecular and Biomolecular Spectroscopy, 2003, 59(5):1075-1082 doi:10.1016/S1386-1425(02)00264-0

[7]	Zhongxiao Pan, Weimin Guo, Xiaojing Wu, Wensheng Cai, Xueguang Shao
	A new stochastic resonance algorithm to improve the detection limits for trace analysis
	Chemometrics and Intelligent Laboratory Systems, 2003, 66(1):41-49 doi:10.1016/S0169-7439(03)00003-0

[8]	Xueguang Shao, Chaoxiong Ma
	Application of adaptive wavelet algorithm to the resolution and quantitative analysis of overlapping multicomponent chromatogram
	Analytical Letters, 2003, 36(6):1261-1277 doi: 10.1081/AL-120020157

[9]	邵利民，邵学广，林祥钦
	一种基于免疫识别的主因子数判断方法
	高等学校化学学报，2003, 24(4):595-598

[10]	潘忠孝，吴晓静，郭卫民，蔡文生，邵学广
	基于周期调节的随机共振算法对化学弱信号的检测研究
	高等学校化学学报，2003, 24(4):605-608

[11]	Haiyan Jiang, Wensheng Cai, Xueguang Shao
	A new lowest energy sequence of Marks' decahedral Lennard-Jones clusters containing up to 10000 atoms
	Journal of Physical Chemistry A, 2003, 107(21) pp 4238 - 4243 doi:10.1021/jp0342327

[12]	邵学广，王蕾，张孝松
	免疫-遗传算法用于互变异构体重叠色谱峰的解析
	化学通报(网络版), Chemistry online, 2003, 66(5):w037 http://hxtb.icas.ac.cn/col/2003/c03037.htm

[13]	Da Chen, Fang Wang, Xueguang Shao and Qingde Su
	Elimination of interference information by a new hybrid algorithm for quantitative calibration of near infrared spectra
	The Analyst, 2003, 128(9):1200-1203 doi:10.1039/b305023h

[14]	蔡文生, 姚雪霞, 于艳敏, 邵学广, 潘忠孝
	柔性对接算法用于b-环糊精和胆汁酸的分子识别研究
	计算机与应用化学, 2003, 20(5):551-555

[15]	Xue-Guang Shao, Foo-Tim Chau
	Web Site: A new tool for chemical-signal processing
	Angewandte Chemie International Edition, 2003, 42(39):4722

[16]	Xueguang Shao, Chaoxiong Ma
	A general approach to derivative calculation using wavelet transform
	Chemometrics and Intelligent Laboratory Systems, 2003, 69(1-2):157-165 doi:10.1016/j.chemolab.2003.08.001

[17]	Xiaojing Wu, Weiming Guo, Wensheng Cai, Xueguang Shao, Zhongxiao Pan
	A method based on stochastic resonance for the detection of weak analytical signal
	Talanta, 2003, 61(6): 863-869 doi:10.1016/S0039-9140(03)00371-0

[18]	Cai Wensheng, Xu Jiawei, Shao Xueguang, Maigret Bernard
	Molecular simulation using spherical harmonics
	Chinese Journal of Chemistry, 2003, 21(10):1252-1255