化学信息学实验室
2002年发表的部分论文目录
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2002
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Books
2002
[1] |
Wensheng Cai, Xueguang Shao, Bernard Maigret |
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Protein-ligand recognition using spherical harmonic molecular surfaces: towards a fast and efficient filter for large virtual throughput screening |
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Journal of Molecular Graphics and Modeling, 2002, 20(4):313-328 |
[2] |
邵学广, 姜海燕, 蔡文生 |
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生物分子计算进展 |
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化学进展,2002, 14(1):37-46 |
[3] |
王蕾,张孝松,徐智秀,邵学广 |
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反相高效液相色谱法测定四环素类抗生素 |
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色谱,2002, 20(1):49-51 |
[4] |
姜海燕, 程龙玖, 蔡文生, 邵学广 |
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并行遗传算法用于氩原子簇的结构优化 |
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计算机与应用化学,2002, 19(1):9-12 |
[5] |
Wensheng Cai, Xueguang Shao |
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A fast annealing evolutionary algorithm for global optimization |
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Journal of Computational Chemistry, 2002, 23(4):427-435 |
[6] |
Wensheng Cai, Yan Feng, Xueguang Shao, Zhongxiao Pan |
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Optimization of Lennard-Jones atomic clusters |
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Journal of Molecular Structure: TheoChem, 2002, 579(1-3):229-234 |
[7] |
陈宗海,林祥钦,邵学广 |
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电分析化学中的化学计量学方法及其应用 |
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分析科学学报,2002, 18(1):74-79 |
[8] |
邵学广,邵利民,李梅青,林祥钦 |
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窗口因子分析算法的改进及带噪声HPLC-DAD数据的解析 |
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中国科学(B), 2002, 32(2):97-104 |
[9] |
Xueguang Shao, Limin Shao, Meiqing Li, Xiangqin Lin |
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An improvement of window factor analysis for resolution of noisy HPLC-DAD data |
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Science in China (series B), 2002, (3):289-298 |
[10] |
王芳, 陈达, 邵学广 |
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近红外光谱与卷烟样品常规成份的关系模型研究 |
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烟草科技,2002, (5):23-26 |
[11] |
邵学广, 虞正亮 |
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小波变换-免疫算法用于重叠分析化学信号的解析 |
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计算机与应用化学,2002, 19(3):242-244 |
[12] |
邵学广, 蔡文生 |
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化学信息学及其课程建设 |
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大学化学,2002, 17(3):12-15 |
[13] |
夏保云,蔡文生,潘忠孝,邵学广 |
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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 |
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高等学校化学学报,2002,23(6):1122-1125 |
[14] |
Shao Xueguang, Yu Zhengliang |
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A fast algorithm based on wavelet compression and immune algorithm for resolution and quantitative determination of the component in multicomponent overlapping chromatogram |
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Chemical Journal on Internet, 2002, 4(8):048038pe |
[15] |
Wensheng Cai, Yan Feng, Xueguang Shao, Zhongxiao Pan |
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Global optimization of (C60)N molecular clusters |
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Chemical Physics Letters, 2002,359(1-2):27-34 |
[16] |
邵学广, 李梅青, 邵利民 |
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一种基于免疫算法的新型因子分析算法 |
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高等学校化学学报, 2002, 23(7):1269-1272 |
[17] |
Haiyan Jiang, Wensheng Cai, Xueguang Shao |
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A random tunneling algorithm for the structural optimization problem |
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Physical Chemistry Chemical Physics, 2002, 4(19):4782-4788 |
[18] |
Wensheng Cai, Haiyan Jiang, Xueguang Shao |
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Global optimization of Lennard-Jones clusters by a parallel fast annealing evolutionary algorithm |
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Journal of Chemical Information and Computer Science, 2002, 42(5):1099-1103 |
[19] |
郝海玲,蔡文生,邵学广 |
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环糊精-苯衍生物包结物稳定常数的研究 |
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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 |
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双层随机共振算法用于弱化学信号的检测 |
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化学通报(网络??/span>), Chemistry online, 2002, 65:w96 |
[21] |
Xueguang Shao, Li Sun |
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Resolution of multicomponent overlapping NMR signals using an immune algorithm and genetic algorithm |
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Analytical Letters, 2002, 35(14):2375-2387 |
[22] |
Limin Shao, Xiangqin Lin, Xueguang Shao |
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Wavelet Transform and Its Applications in Spectroscopic Analysis |
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Applied Spectroscopy Reviews, 2002, 37(4):429-450 |