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兰州大学机构库
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Predicting the ecotoxicity of ionic liquids towards Vibrio fischeri using genetic function approximation and least squares support vector machine 期刊论文
JOURNAL OF HAZARDOUS MATERIALS, 2015, 卷号: 283, 页码: 591-598
Authors:  Ma, SY;  Lv, M;  Deng, FF;  Zhang, XY(张晓昀);  Zhai, HL(翟红林);  Lv, WJ;  Zhang, XY (reprint author), Lanzhou Univ, Dept Chem, Lanzhou 730000, Gansu, Peoples R China.
Favorite  |    Submit date：2016/03/29
Ionic liquids  Ecotoxicity  Vibrio fischeri  GFA  LSSVM  
Combined molecular docking, molecular dynamics simulation and quantitative structure-activity relationship study of pyrimido[1,2-c] [1,3]benzothiazin-6-imine derivatives as potent anti-HIV drugs 期刊论文
JOURNAL OF MOLECULAR STRUCTURE, 2014, 卷号: 1067, 页码: 1-13
Authors:  Deng, FF;  Xie, MH;  Zhang, XY(张晓昀);  Li, PZ;  Tian, YL;  Zhai, HL(翟红林);  Li, Y;  Zhang, XY (reprint author), Lanzhou Univ, Coll Chem & Chem Engn, Lanzhou 730000, Gansu, Peoples R China.
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MLR  SMILES  Molecular docking  Molecular dynamics  HIV inhibitors  
Studies on the inhibitory models of pyrazoline derivatives as EGFR kinase inhibitors by 3D-QSAR and molecular docking 期刊论文
MEDICINAL CHEMISTRY RESEARCH, 2014, 卷号: 23, 期号: 6
Authors:  Li, PZ;  Tian, YL;  Zhai, HL(翟红林);  Deng, FF;  Xie, MH;  Zhang, XY(张晓昀);  Zhai, HL (reprint author), Lanzhou Univ, Coll Chem & Chem Engn, Lanzhou 730000, Peoples R China.
Adobe PDF(3126Kb)  |  Favorite  |    Submit date：2014/12/05
Pyrazole derivatives  EGFR inhibitors  3D-QSAR  CoMFA  CoMSIA  Molecular docking  
MLRMPA: An R package of multiple linear regression model population analysis based on a cluster sampling technique for variable selection of high dimensional data 期刊论文
CHEMOMETRICS AND INTELLIGENT LABORATORY SYSTEMS, 2014, 卷号: 132
Authors:  Xie, MH;  Deng, FF;  Zhang, XY(张晓昀);  Tian, YL;  Li, PZ;  Zhai, HL(翟红林);  Zhang, XY (reprint author), Lanzhou Univ, Coll Chem & Chem Engn, Lanzhou 730000, Gansu, Peoples R China.
Adobe PDF(1090Kb)  |  Favorite  |    Submit date：2014/12/05
Feature selection  Cluster sampling  Multiple linear regression model population  analysis R package  
Study on the agonists for the human Toll-like receptor-8 by molecular modeling 期刊论文
MOL BIOSYST, 2014, 卷号: 10, 期号: 8, 页码: 2202-2214
Authors:  Deng, FF;  Ma, SY;  Xie, MH;  Zhang, XY(张晓昀);  Li, PZ;  Zhai, HL(翟红林);  Zhang, XY (reprint author), Lanzhou Univ, Coll Chem & Chem Engn, Lanzhou 730000, Gansu, Peoples R China.
Adobe PDF(4445Kb)  |  Favorite  |    Submit date：2015/05/21
Study on the activity of non-purine xanthine oxidase inhibitor by 3D-QSAR modeling and molecular docking 期刊论文
JOURNAL OF MOLECULAR STRUCTURE, 2013, 卷号: 1051
Authors:  Li, PZ;  Tian, YL;  Zhai, HL(翟红林);  Deng, FF;  Xie, MH;  Zhang, XY(张晓昀);  Zhai, HL (reprint author), Lanzhou Univ, Coll Chem & Chem Engn, Lanzhou 730000, Peoples R China.
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Xanthine oxidase  Non-purine xanthine oxidase inhibitors  CoMFA  CoMSIA  Molecular docking  
Molecular design of new aggrecanases-2 inhibitors 期刊论文
BIOORGANIC & MEDICINAL CHEMISTRY LETTERS, 2013, 卷号: 23, 期号: 19
Authors:  Shan, ZJ;  Zhai, HL(翟红林);  Huang, XY;  Li, LN;  Zhang, XY(张晓昀);  Zhai, HL (reprint author), Lanzhou Univ, Coll Chem & Chem Engn, Lanzhou 730000, Peoples R China.
Adobe PDF(4650Kb)  |  Favorite  |    Submit date：2014/12/05
Aggrecanase-2  Inhibitor  Molecular design  Quantitative structure-activity relationship  Molecular docking  
启发式方法研究5’-甲硫腺苷核苷酶抑制剂定量构效关系 期刊论文
成都大学学报(自然科学版), 2013, 期号: 2, 页码: 109-112
Authors:  刘坤平;  李惠茗;  赵琦;  颜军;  郭晓强;  甘亚;  张晓昀;  苟小军
Adobe PDF(465Kb)  |  Favorite  |    Submit date：2015/04/23
定量构效关系  甲硫腺苷核苷酶抑制剂  启发式  径向基人工神经网络  
QSAR Modeling for the Antimalarial Activity of 1,4-Naphthoquinonyl Derivatives as Potential Antimalarial Agents 期刊论文
Current Computer-Aided Drug Design, 2013, 卷号: 9, 期号: 1
Authors:  Luan, F;  Xu, X;  Cordeiro, MNDS;  Liu, HT;  Zhang, XY(张晓昀);  Luan, F (reprint author), Yantai Univ, Dept Appl Chem, Yantai 264005, Peoples R China.
Favorite  |    Submit date：2014/12/05
Antimalarial activity  dug design  malaria  molecular design  multiple linear regression (MLR)  1,4-Naphthoquinonyl derivatives  QSAR  radial basis function neural network (RBFNN)  
Simple and accurate approaches to predict the activity of benzothiadiazine derivatives as HCV inhibitors 期刊论文
MEDICINAL CHEMISTRY RESEARCH, 2012, 卷号: 21, 期号: 8
Authors:  Su, L;  Li, L;  Li, YW;  Zhang, XY(张晓昀);  Huang, XY;  Zhai, HL(翟红林);  Zhang, XY (reprint author), Lanzhou Univ, Dept Chem, Lanzhou 730000, Gansu, Peoples R China.
Adobe PDF(800Kb)  |  Favorite  |    Submit date：2014/12/05
BMLR  HCV  QSAR  RBFNN  SVM