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
IF
2001 = 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