Volume 51, Issue 8

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August 2008

Chemoinformatics and Chemometrics

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12 articles in this issue

Amine-catalyzed polycyclotrimerization of arylene bipropiolate: A metal-free and regioselective route to hyperbranched polymer
Cathy K. W. Jim
AnJun Qin
Ben Zhong Tang
OriginalPaper 17 July 2008 Pages: 705 - 708
Research progress in cation-π interactions
JiaGao Cheng
XiaoMin Luo
WeiLiang Zhu
OriginalPaper 17 July 2008 Pages: 709 - 717
Chemometrics and modernization of traditional Chinese medicine
YiZeng Liang
LunZhao Yi
QingSong Xu
OriginalPaper 17 July 2008 Pages: 718 - 728
Rapid determination of thiabendazole in orange extract using excitation-emission matrix fluorescence and second-order calibration based on alternating trilinear decomposition/alternating normalization-weighted error algorithms
XueMei Wang
HaiLong Wu
RuQin Yu
OriginalPaper 17 July 2008 Pages: 729 - 735
Molecular dynamics simulations of the hydration of poly(vinyl methyl ether): Hydrogen bonds and quasi-hydrogen bonds
RongLiang Wu
Qing Ji
XiaoZhen Yang
OriginalPaper 17 July 2008 Pages: 736 - 742
Dissipative particle dynamics simulation study of the bilayer-vesicle transition
ShaoGui Wu
HongXia Guo
OriginalPaper 17 July 2008 Pages: 743 - 750
Outlier detection in near-infrared spectroscopic analysis by using Monte Carlo cross-validation
ZhiChao Liu
WenSheng Cai
XueGuang Shao
OriginalPaper 17 July 2008 Pages: 751 - 759
Prediction of adsorption of small molecules in porous materials based on ab initio force field method
LianChi Liu
Jia Fu
Huai Sun
OriginalPaper 17 July 2008 Pages: 760 - 767
The open-close mechanism of M2 channel protein in influenza A virus: A computational study on the hydrogen bonds and cation-π interactions among His37 and Trp41
JiaGao Cheng
WeiLiang Zhu
HuaLiang Jiang
OriginalPaper 17 July 2008 Pages: 768 - 775
Simultaneous kinetic spectrophotometric determination of norfloxacin and rifampicin in pharmaceutical formulation and human urine samples by use of chemometrics approaches
Yong Wang
YongNian Ni
Serge Kokot
OriginalPaper 17 July 2008 Pages: 776 - 785
Pharmacophore-based structure optimization of angiotensin converting enzyme inhibitory peptide
Wei Wang
ShengRong Shen
ZhanLi Wang
OriginalPaper 17 July 2008 Pages: 786 - 793
Scores of amino acid 0D-3D information as applied in cleavage site prediction and better specificity elucidation for human immunodeficiency virus type 1 protease
LiFang Kang
GuiZhao Liang
ZhiLiang Li
OriginalPaper 17 July 2008 Pages: 794 - 800

Volume 51, Issue 8

Amine-catalyzed polycyclotrimerization of arylene bipropiolate: A metal-free and regioselective route to hyperbranched polymer

Research progress in cation-π interactions

Chemometrics and modernization of traditional Chinese medicine

Rapid determination of thiabendazole in orange extract using excitation-emission matrix fluorescence and second-order calibration based on alternating trilinear decomposition/alternating normalization-weighted error algorithms

Molecular dynamics simulations of the hydration of poly(vinyl methyl ether): Hydrogen bonds and quasi-hydrogen bonds

Dissipative particle dynamics simulation study of the bilayer-vesicle transition

Outlier detection in near-infrared spectroscopic analysis by using Monte Carlo cross-validation

Prediction of adsorption of small molecules in porous materials based on ab initio force field method

The open-close mechanism of M2 channel protein in influenza A virus: A computational study on the hydrogen bonds and cation-π interactions among His37 and Trp41

Simultaneous kinetic spectrophotometric determination of norfloxacin and rifampicin in pharmaceutical formulation and human urine samples by use of chemometrics approaches

Pharmacophore-based structure optimization of angiotensin converting enzyme inhibitory peptide

Scores of amino acid 0D-3D information as applied in cleavage site prediction and better specificity elucidation for human immunodeficiency virus type 1 protease

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