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，2002，23(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