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CORC

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3D-QSAR and pharmacophore model study on aryl diphenolic azoles as estrogen receptor-beta ligands 期刊论文
medicinal chemistry research, 2013, 卷号: 22, 期号: 9, 页码: 4468-4480
作者:  Luo, Hua-Jun;  Zou, Kun;  Huang, Nian-Yu;  Wang, Jun-Zhi;  Deng, Wei-Qiao
收藏  |  浏览/下载：23/0  |  提交时间：2015/11/09
Semisynthesis and quantitative structure-activity relationship (QSAR) study of some cholesterol-based hydrazone derivatives as insecticidal agents 期刊论文
BIOORGANIC & MEDICINAL CHEMISTRY LETTERS, 2013, 卷号: 23, 期号: 17
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收藏  |  浏览/下载：4/0  |  提交时间：2014/12/05
CoMFA, CoMSIA and HQSAR Studies of Acetylcholinesterase Inhibitors 期刊论文
CURRENT COMPUTER-AIDED DRUG DESIGN, 2013, 卷号: 9, 期号: 3, 页码: 385-395
作者:  Jiang, Yu-Ren;  Yang, Yan-Yan;  Chen, Yu-Ling;  Liang, Zhong-Jie
收藏  |  浏览/下载：13/0  |  提交时间：2019/01/08
Synthesis and Quantitative Structure-Activity Relationship (QSAR) Study of Novel N-Arylsulfonyl-3-acylindole Arylcarbonyl Hydrazone Derivatives as Nematicidal Agents 期刊论文
JOURNAL OF AGRICULTURAL AND FOOD CHEMISTRY, 2013, 卷号: 61, 期号: 24
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收藏  |  浏览/下载：5/0  |  提交时间：2014/12/05
Structure-Activity Relationship Analysis of the Thermal Stabilities of Nitroaromatic Compounds Following Different Decomposition Mechanisms 期刊论文
MOLECULAR INFORMATICS, 2013, 卷号: 32, 期号: 2, 页码: 193-202
作者:  Li, JZ;  Liu, HX;  Huo, X;  Gramatica, P
收藏  |  浏览/下载：2/0  |  提交时间：2015/12/29
Synthesis and Quantitative Structure-Activity Relationship (QSAR) Study of Novel 4-Acyloxypodophyllotoxin Derivatives Modified in the A and C Rings as Insecticidal Agents 期刊论文
JOURNAL OF AGRICULTURAL AND FOOD CHEMISTRY, 2013, 卷号: 61, 期号: 3
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收藏  |  浏览/下载：4/0  |  提交时间：2014/12/05
Strategies for structure elucidation of small molecules using gas chromatography-mass spectrometric data 期刊论文
TrAC - Trends in Analytical Chemistry, 2013, 卷号: 47, 页码: 37-46
作者:  Zhang, Liangxiao*;  Tang, Chunlan;  Cao, Dongsheng;  Zeng, Yingxu;  Tan, Binbin
收藏  |  浏览/下载：5/0  |  提交时间：2019/12/03
AI  Artificial intelligence  CASE  Computer-aided structure elucidation  CI  Chemical ionization  DA  Dissimilarity analysis  ECL  Equivalent chain length  EI  Electron ionization or electron impact  FAME  Fatty-acid methyl ester  FCL  Fraction chain length  GC-MS  Gas chromatography-mass spectrometry  IR  Infrared  KNN  K-nearest neighbor  LDA  Linear discriminant analysis  m/z  Mass-to-charge ratio  NIST  National Institute of Standards and Technology  NMR  Nuclear magnetic resonance  PCA  Principal component analysis  PLS-DA  Partial least squares discriminant analysis  PUFA  Polyunsaturated fatty acid  QSAR  Quantitative structure-activity relationship  RI  Retention index  RT  Retention time  SVM  Support vector machine  TOF  Time-of-flight  UFA  Unsaturated fatty acid  UV  Ultraviolet  Gas chromatography coupled to mass spectrometry (GC-MS)  Data mining  Identification accuracy  Information extraction  Mass spectral characteristics  Mass spectral transfer  Multivariate analysis  Retention index (RI)  Small molecule  Structure elucidation  
Design, Synthesis, Antifungal Activities and 3D-QSAR of New N,N '-Diacylhydrazines Containing 2,4-Dichlorophenoxy Moiety 期刊论文
INTERNATIONAL JOURNAL OF MOLECULAR SCIENCES, 2013, 卷号: 14, 期号: 11, 页码: 21741-21756
作者:  Sun, Na-Bo;  Shi, Yan-Xia;  Liu, Xing-Hai;  Ma, Yi;  Tan, Cheng-Xia
收藏  |  浏览/下载：10/0  |  提交时间：2017/04/17
Design, Synthesis, Antifungal Activities and 3D-QSAR of New N,N '-Diacylhydrazines Containing 2,4-Dichlorophenoxy Moiety 期刊论文
INTERNATIONAL JOURNAL OF MOLECULAR SCIENCES, 2013, 卷号: 14, 期号: 11, 页码: 21741-21756
作者:  Sun, Na-Bo;  Shi, Yan-Xia;  Liu, Xing-Hai;  Ma, Yi;  Tan, Cheng-Xia
收藏  |  浏览/下载：4/0  |  提交时间：2017/04/23
Experimental, Quantum Chemical and Molecular Dynamics Studies of Imidazoline Molecules Against the Corrosion of Steel and Quantitative Structure-Activity Relationship Analysis Using the Support Vector Machine (SVM) Method 期刊论文
INTERNATIONAL JOURNAL OF ELECTROCHEMICAL SCIENCE, 2013, 卷号: 8, 期号: 9, 页码: 11228-11247
作者:  Hu, Haixiang;  Du, Lei;  Li, Xiaochun;  Zhao, Hongxia;  Zhang, Xiuhui
收藏  |  浏览/下载：18/0  |  提交时间：2018/06/05

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