1001-4160
2007 Issue 1
..............page:前插页1-前插页5
..............page:124
..............page:封四
..............page:插2
shi ru chun shui huai nian en shi zhang zuo sen xian sheng
xu jun ; pan zhong xiao
xu jun ; pan zhong xiao
..............page:封二-插1
Chemoinformatics and open source software integration and reuse
Qiao Yuanyuan;Wu Xia;Yang Ling;Zhang Mingtao
Qiao Yuanyuan;Wu Xia;Yang Ling;Zhang Mingtao
..............page:133-136
CISOC-ChIMS: Chemical information management system
Shen Tianxiang;Li Feng;Yao Jianhua
Shen Tianxiang;Li Feng;Yao Jianhua
..............page:130-132
Overview of ChIN, a Web guide of chemical information for 10 years
Li Xiaoxia;Yuan Xiaolong;Nie Fengguang;Guo Li
Li Xiaoxia;Yuan Xiaolong;Nie Fengguang;Guo Li
..............page:125-129
Identification of official rhubarb samples based on IR spectra and temperatureconstrained cascade-correlation networks
Ma Shumin;Liu Sidong;Zhang Zhuoyong
Ma Shumin;Liu Sidong;Zhang Zhuoyong
..............page:121-124
Determination of polycyclic aromatic hydrocarbons by using matrix fluorescence spectra coupled with second-order calibration algorithms
Zhang Huifeng;Wu Hailong;Xia Alin;Zhu Shaohua;Yu Ruqin
Zhang Huifeng;Wu Hailong;Xia Alin;Zhu Shaohua;Yu Ruqin
..............page:117-120
Application of chemometrics to resolve high performance liquid chromatographic fingerprints of Huanglianshangqing Tablets
Ni Yongnian;Peng Yunyan
Ni Yongnian;Peng Yunyan
..............page:113-116
..............page:91-93
A QSAR study of halogen phenols toxicity to the tetrahymena pyriformis
Xing Jionghao;Zhang Yuntao
Xing Jionghao;Zhang Yuntao
..............page:87-90
Comparison of predictions between global and local model for QSAR/QSPR
Zhou Xinqi;Liang Yizeng;Yuan Dalin;Liang Sheng
Zhou Xinqi;Liang Yizeng;Yuan Dalin;Liang Sheng
..............page:83-86
Application of rough sets theory in the study on relationship between structure and anti-HIV activity of indolyl aryl sulfones
Xiang Bingren;Dong Ying;Liu Hao
Xiang Bingren;Dong Ying;Liu Hao
..............page:77-82
Support vector regression for the prediction of acute toxicities of chloro-aromatic compounds for scenedesmus obliquus
dai yu ru ; lu wen cong ; yan yue ran ; li guo zheng ; bao bo rong
dai yu ru ; lu wen cong ; yan yue ran ; li guo zheng ; bao bo rong
..............page:74-76
Using support vector regression for QSPR of herbicidal 1,4,2-diazaphospholidin-5-(thi) one-2-oxides
Lu Wencong;Yin Wenyu;Liu Taiang;Li Guozheng
Lu Wencong;Yin Wenyu;Liu Taiang;Li Guozheng
..............page:69-73
Comparison of different coding methods for DNA primary sequences
Zhang Baohua;Wang Haishui;Xu Lu;Wu Di
Zhang Baohua;Wang Haishui;Xu Lu;Wu Di
..............page:45-48
Chemical space analysis in effective components of Chinese herbs
Huang Qian;Qiao Xuebin;Xu Xiaojie
Huang Qian;Qiao Xuebin;Xu Xiaojie
..............page:41-44
The feature extraction of hemoglobin sequences based on wavelet packet transforms
Tian Yuanxin;Chen Chao;Zou Xiaoyong;Cai Peixiang
Tian Yuanxin;Chen Chao;Zou Xiaoyong;Cai Peixiang
..............page:38-40
Non-specific chemical structure representation for computer search algorithms
Xu Jun;Sun Yanling;Liu Yanhuai;Liang Yizeng
Xu Jun;Sun Yanling;Liu Yanhuai;Liang Yizeng
..............page:31-37
Progressive screening using scaffold-based classification approach
Xu Jun;Liang Yizeng
Xu Jun;Liang Yizeng
..............page:23-30
Determination of the vapor pressure of organic compounds at ambient temperature by gas chromatography
Wang Guoqing;Sun Xiaoli;Sun Yu'an;Xie Bing;Zhang Guojun
Wang Guoqing;Sun Xiaoli;Sun Yu'an;Xie Bing;Zhang Guojun
..............page:110-112
Application of kernel method to classifiy SELDI-TOF proteomics data
Tang Kailin;Li Tonghua;Chen Kai;Huang Jinyan
Tang Kailin;Li Tonghua;Chen Kai;Huang Jinyan
..............page:107-109
Theoretical studies on the structures and stability of C80-C90 fullerenes
Xu Lei;Cai Wensheng;Shao Xueguang
Xu Lei;Cai Wensheng;Shao Xueguang
..............page:103-106
Semiempirical study on the stability of single-walled carbon nanotubes with different sizes
Lin Yi;Cai Wensheng;Shao Xueguang
Lin Yi;Cai Wensheng;Shao Xueguang
..............page:97-102
Comparative studies of prediction of herb-based FXR ligands by 11 binding free energies scoring fuctions
Zhu Wei;Huang Qin;Li Xudong;Chen Keji;Xu Xiaojie
Zhu Wei;Huang Qin;Li Xudong;Chen Keji;Xu Xiaojie
..............page:94-96
GMCI: a modified molecular connectivity index
Yin Chunsheng;Guo Weimin;Lu Chunhui
Yin Chunsheng;Guo Weimin;Lu Chunhui
..............page:61-68
The exploratory analysis of cellular signal transduction network
Pan Yi;Feng Zinan;Diao Yuanbo;Xiang Jie;Wen Zhining;Li Menglong
Pan Yi;Feng Zinan;Diao Yuanbo;Xiang Jie;Wen Zhining;Li Menglong
..............page:56-60
Application of some chemical pattern recognition techniques in bioinformatics
Wang Lan;Chen Jing;Wang Rui;Lu Xiaoquan
Wang Lan;Chen Jing;Wang Rui;Lu Xiaoquan
..............page:53-55
The similarity algorithm study on fingerprint of traditional Chinese medicine based on relative entropy
Wang Kang;Du Kai;Li Hua
Wang Kang;Du Kai;Li Hua
..............page:49-52
Should structure-based virtual screening techniques be used more extensively in modern drug discovery?
V.Leroux;B.Maigret
V.Leroux;B.Maigret
..............page:1-10
Progress in capillary isoelectric focusing (cIEF) and theoretical simulation of its process
Wu Jiaqi
Wu Jiaqi
..............page:11-15
FastGen: a novel hybrid structure generation algorithm
William Lingran Chen
William Lingran Chen
..............page:16-22