化学信息学实验室
2001年发表的部分论文目录

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2001

[1] Wensheng Cai, Baoyun Xia, Xueguang Shao, Qingxiang Guo, B. Maigret, Zhongxiao Pan
Molecular interactions of alpha-cyclodextrin inclusion complexes using a genetic algorithm
Journal of Molecular Structure: THEOCHEM, 2001, 535(1-3):115-119
[2] 邵学广,李梅青
子窗口分析法用于偶氮染料GC-MS重叠峰的解析
色谱, 2001, 19(2):184-187
[3] Wensheng Cai, Liya Wang, Zhongxiao Pan, Jian Zuo, Cunyi Xu, Xueguang Shao
Application of Wavelet Transform in Quantitative Analysis of Raman Spectrum
Journal of Raman Spectroscopy, 2001, 32(3):207-209
[4] Xueguang Shao, Li Sun
An application of the continuous wavelet transform to resolution of multicomponent overlapping analytical signals
Analytical Letters, 2001, 34(2):267-280
[5] 夏保云,蔡文生,邵学广,潘忠孝
改进的遗传算法用于氩原子簇的结构优化
计算机与应用化学, 2001, 18(2):139-142
[6] 邵学广,孙莉
免疫-遗传算法用于混合物重叠核磁共振信号解析
高等学校化学学报, 2001, 22(4):552-555
[7] Li Sun, Wensheng Cai, Xueguang Shao
A two-dimensional immune algorithm for resolution of overlapping two-way chromatograms
Fresenius' Journal of Analytical Chemistry, 2001, 370(1):16-21
[8] 陈宗海,林祥钦,邵学广,邓兆祥
傅里叶变换用于快扫伏安法的电流分离
分析化学, 2001, 29(6):625-628
[9] 邵学广,孙莉
免疫算法用于多组分二维色谱数据的解析
分析化学, 2001, 29(7):768-770
[10] Wensheng Cai, Baoyun Xia, Xueguang Shao, Qingxiang Guo, B. Maigret, Zhongxiao Pan
Molecular docking of alpha-cyclodextrin inclusion complexes by genetic algorithm and empirical binding free energy function
Chemical Physics Letters, 2001, 342(3-4):387-396
[11] Baoyun Xia, Wensheng Cai, Xueguang Shao, Qingxiang Guo, B. Maigret, Zhongxiao Pan
Chiral recognition study for the inclusion complexes of amino acids with alpha-cyclodextrin using a fast annealing evolutionary algorithm
Journal of Molecular Structure: THEOCHEM, 2001, 546(1-3):33-38