化学信息学实验室
2002年发表的部分论文目录

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2002

[1]

Wensheng Cai, Xueguang Shao, Bernard Maigret

 

Protein-ligand recognition using spherical harmonic molecular surfaces: towards a fast and efficient filter for large virtual throughput screening

Journal of Molecular Graphics and Modeling, 2002, 20(4):313-328

doi:10.1016/S1093-3263(01)00134-6

 

[2]

邵学广, 姜海燕, 蔡文生

 

生物分子计算进展

化学进展2002, 14(1):37-46

 

[3]

王蕾,张孝松,徐智秀,邵学广

 

反相高效液相色谱法测定四环素类抗生素

色谱2002, 20(1):49-51

 

[4]

姜海燕, 程龙玖, 蔡文生, 邵学广

 

并行遗传算法用于氩原子簇的结构优化

计算机与应用化学2002, 19(1):9-12

 

[5]

Wensheng Cai, Xueguang Shao

 

A fast annealing evolutionary algorithm for global optimization

Journal of Computational Chemistry, 2002, 23(4):427-435

doi:10.1002/jcc.10029

 

[6]

Wensheng Cai, Yan Feng, Xueguang Shao, Zhongxiao Pan

 

Optimization of Lennard-Jones atomic clusters

Journal of Molecular Structure: TheoChem, 2002, 579(1-3):229-234

doi:10.1016/S0166-1280(01)00730-8

 

[7]

陈宗海,林祥钦,邵学广

 

电分析化学中的化学计量学方法及其应用

分析科学学报2002, 18(1):74-79

 

[8]

邵学广,邵利民,李梅青,林祥钦

 

窗口因子分析算法的改进及带噪声HPLC-DAD数据的解析

中国科学(B), 2002, 32(2):97-104

 

[9]

Xueguang Shao, Limin Shao, Meiqing Li, Xiangqin Lin

 

An improvement of window factor analysis for resolution of noisy HPLC-DAD data

Science in China (series B), 2002, (3):289-298

doi:10.1360/02yb9038

 

[10]

王芳, 陈达, 邵学广

 

近红外光谱与卷烟样品常规成份的关系模型研究

烟草科技2002, (5):23-26

 

[11]

邵学广, 虞正亮

 

小波变换-免疫算法用于重叠分析化学信号的解析

计算机与应用化学2002, 19(3):242-244

 

[12]

邵学广, 蔡文生

 

化学信息学及其课程建设

大学化学2002, 17(3):12-15

 

[13]

夏保云,蔡文生,潘忠孝,邵学广

 

快速退火演化算法用于取代ß-环糊精与氨基酸手性识别研究

高等学校化学学报200223(6):1122-1125

 

[14]

Shao Xueguang, Yu Zhengliang

 

A fast algorithm based on wavelet compression and immune algorithm for resolution and quantitative determination of the component in multicomponent overlapping chromatogram

Chemical Journal on Internet, 2002, 4(8):048038pe
http://www.chemistrymag.org/cji/2002/048038pe.htm

 

[15]

Wensheng Cai, Yan Feng, Xueguang Shao, Zhongxiao Pan

 

Global optimization of (C60)N molecular clusters

Chemical Physics Letters, 2002,359(1-2):27-34

doi:10.1016/S0009-2614(02)00431-1

 

[16]

邵学广, 李梅青, 邵利民

 

一种基于免疫算法的新型因子分析算法

高等学校化学学报, 2002, 23(7):1269-1272

 

[17]

Haiyan Jiang, Wensheng Cai, Xueguang Shao

 

A random tunneling algorithm for the structural optimization problem

Physical Chemistry Chemical Physics, 2002, 4(19):4782-4788
doi:10.1039/b206251h

 

[18]

Wensheng Cai, Haiyan Jiang, Xueguang Shao

 

Global optimization of Lennard-Jones clusters by a parallel fast annealing evolutionary algorithm

Journal of Chemical Information and Computer Science, 2002, 42(5):1099-1103

doi: 10.1021/ci020004i

 

[19]

郝海玲,蔡文生,邵学广

 

环糊精-苯衍生物包结物稳定常数的研究

计算机与应用化学2002,19(5):546-550

 

[20]

吴晓静,郭卫民,蔡文生,邵学广,潘忠孝

 

双层随机共振算法用于弱化学信号的检测

化学通报(网络??/span>), Chemistry online, 2002, 65:w96
http://hxtb.icas.ac.cn/col/2002/c02096.htm

 

[21]

Xueguang Shao, Li Sun

 

Resolution of multicomponent overlapping NMR signals using an immune algorithm and genetic algorithm

Analytical Letters, 2002, 35(14):2375-2387

doi:10.1081/AL-120016110

 

[22]

Limin Shao, Xiangqin Lin, Xueguang Shao

 

Wavelet Transform and Its Applications in Spectroscopic Analysis

Applied Spectroscopy Reviews, 2002, 37(4):429-450

doi:10.1081/ASR-120016391