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Computers and Applied Chemistry
1001-4160
2013 Issue 1
Automatic generation of reaction network for complex processes
Fang Jin and Gibert F.Froment~*
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page:1-7
Molecular docking and ADMET studies on traditional Chinese medicines’ ingredients and xanthine oxidase
Fong Pedro~*;Kuok Chiufai and Chao Chiman
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page:8-12
A new gas-liquid cyclone’s simulation
Liu Zhendong~1;Chen Wenwu~1;Wang Zhenxing~2;Bi Rongshan~;Li Yugang~2 and Zheng Shiqing~2
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page:13-17
Applications of support vector machine in identification of passive IR remote sensing spectrum of dangerous chemicals
Guo Tengxiao~1;Ding Xuequan~1;Dong Xiaoqiang~;Mu Ning~1 and Wen Hongyu~1
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page:18-20
Studies on quantitative structure-retention relationship for sulfur alcohol on different stationary phases
Zhang Xiaotong~;Ge Cuinian~1;Sun Zhaolin~1;Song Lijuan~1 and Sun Ting~2
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page:21-26
Reaction path synthesis based on HSE evaluation
Jiao Wei~;Sun Xiaoyan~1;Xia Li~1 and Xiang Shuguang~
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page:27-30
Research on signal denoising methods in chemical ion mobility spectrometers
Jiang Yanwei~*;Yang Jie;Cao Shuya;Guo Chenghai;Zhao Jiang and Shao Shengyu
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page:31-35
Determination and discrimination of Sudan red in paprika by near-infrared spectroscopy
Du Yiping~*;Xiang Chunlan;Huang Zixia;Fang Juanjuan;Meng Qi and Wei Xuemei
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page:36-38
Effects of spectral preprocessing and wavelength selection on content determination in mixed-amine by NIR spectroscopy
Wang Juxiang~*;Xing Zhina;Shen Gang and Liu Jie
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page:39-42
The VHSE-based classifications of the peptide ligands of HLA-B~*5701 and HLA-B~*5801
Wang Qing~2;Mei Hu~;Zhang Yalan~2;Pan Xianchao~2;Tan Wen~2 and Chao Li~2 ;Chongqing University; Chongqing 400044;China)
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page:43-47
Instantaneous and online pH measuring platform based on arduino and python
Bin Jun;Ai Fangfang;Liu Nian;Zhang Zhimin;Liang Yizeng~*
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page:48-52
The outlier detection of industry process using improved local outlier factor
He Jiuhu and Liu Fei~* ;Institute of Automation;Jiangnan University;Wuxi 214122;Jiangsu;China)
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page:53-56
ji suan ji yu ying yong hua xue zheng gao jian ze
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page:56
The free energy perturbation calculation of series alkyl aryl sulfonates
Shi Peng~1;Liu Hongbin~2;Ding Wei~3;Yu Tao~3;Qu Guangmiao~3 and Luan Hexin~3
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page:57-62
Thermodynamics calculation and analysis of the synthesis of glutaric acid by oxidation of cyclopentene
Yao Benzhen;Jiang Fanghong;Ding Xianhua;Wu Zhongping and Xi Jun
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page:63-66
Synthesis and performance evaluation of MA/SS/DLA copolymer scale inhibitor
Zhu Xun~;Gao Zhaoshang~1;Xiang Dongsheng~1 and Zhou Ling~
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page:67-70
Thermodynamic equilibrium analysis of product distribution for Fischer-Tropsch synthesis
Gao Junhu~;Wu Baoshan~;Yang Yong~;Xu Yuanyuan~3 and Li Yongwang~
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page:71-75
The reconstruction of continuous DOP esterification using tetrabutyl titanate catalyst
Lv Haixia~1;Yang Zhijie~1 and Han Fangyu~
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page:76-80
Optimization of gas desufurization equipment regeneration system
Zhao Cong~1;Fan Zheng~2;Li Wenhong~;Yan Zhao~3;Jia Haomin~3 and Chen Xiuna~1
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page:81-84
Study on the correlation between the volatile components of TCMs for relieving the exterior syndromes and their medicinal properties
Qin Jieping~;Liu Jin~2;Chen Yuping~2;Liang Chenyan~1;Li Yaohua~1;Li Yiran~2; Huang Yan~2 and He Qiaoming~2
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page:85-88
Response surface methodology as an approach to optimization of steviosides extraction
Hui Lin~1 and Zhang Shuping~
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page:89-92
A gene data biclustering algorithm based on simulated annealing and particle swarm optimization
Zhu Xian~ and Xu Jianhua~2
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page:93-96
Potential targets prediction and molecule docking study of SAHA
Song Jinglin~1;Xiang Yuhong~1;Zhao Lingling~1 and Zhang Zhuoyong~
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page:97-101
Structuring of Chinese traditional medicines three-dimension fluorescence fingerprint spectrum database
Shi Xunli~;Zhang Lin~1;Du Hongli~3 and Li Luhua~1
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page:102-106
Research on a risk aversion newsboy’s optimal strategy based on demand forecast information updating
Li Xi~1 and Suo Hansheng~2
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page:107-110
ji suan ji yu ying yong hua xue zheng gao jian ze
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page:112