兰州大学机构库

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The importance of molecular structures, endpoints' values, and predictivity parameters in QSAR research: QSAR analysis of a series of estrogen receptor binders 期刊论文
MOLECULAR DIVERSITY, 2010, 卷号: 14, 期号: 4
Authors:  Li, JZ;  Gramatica, P;  Gramatica, P (reprint author), Univ Insubria, QSAR Res Unit Environm Chem & Ecotoxicol, Dept Struct & Funct Biol, Via Dunant 3, I-21100 Varese, Italy.
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Quantitative structure-activity relationship (QSAR)  Endocrine disruptors  Estrogen receptor binders  Molecular conformation  External validation parameters  
Accurate and Validated Quantitative Structure - Activity Relationship Model of Caspase-mediated Apoptosis-inducing Activity of Phenolic Compounds Using Density Functional Theory Calculation and Genetic Algorithm - Multiple Linear Regression 期刊论文
QSAR COMB SCI, 2008, 卷号: 27, 期号: 11-12
Authors:  Chang, J;  Lei, BL;  Li, JZ;  Li, SY(李书艳);  Shen, YL;  Yao, XJ(姚小军);  Chang, J (reprint author), Lanzhou Univ, Dept Chem, Lanzhou 730000, Peoples R China.
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Apoptosis  Density functional theory (DFT)  Genetic algorithm (GA)  Multiple linear regression (MLR)  Quantitative struture - activity relationship (QSAR)  
Quantitative Structure Activity Relationship (QSAR) Approach to Multiple Drug Resistance (MDR) Modulators Based on Combined Hybrid System 期刊论文
QSAR COMB SCI, 2009, 卷号: 28, 期号: 9, 页码: 969-978
Authors:  Wu, Jianhua;  Li, Xin;  Cheng, Weidong;  Xie, Qinjian;  Liu, Yinqian;  Zhao, Chunyan
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Drug design  P-Glycoprotein (PGP)  Quantitative structure activity relationship (QSAR)  Hybrid system, Medicinal chemistry  
QSAR study of natural, synthetic and environmental endocrine disrupting compounds for binding to the androgen receptor 期刊论文
SAR AND QSAR IN ENVIRONMENTAL RESEARCH, 2005, 卷号: 16, 期号: 4
Authors:  Zhao, CY;  Zhang, RS(张瑞生);  Zhang, HX(张海霞);  Xue, CX;  Liu, HX;  Liu, MC;  Hu, ZD(胡之德);  Fan, BT;  Zhang, RS (reprint author), Lanzhou Univ, Dept Chem, Lanzhou 730000, Peoples R China.
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Androgen Receptor (Ar)  Artificial Neural Network  Endocrine Disrupting Compound (Edc)  Linear Method  Support Vector Machine (Svm)  
QSAR classification of estrogen receptor binders and pre-screening of potential pleiotropic EDCs 期刊论文
SAR AND QSAR IN ENVIRONMENTAL RESEARCH, 2010, 卷号: 21, 期号: 7-8
Authors:  Li, J;  Gramatica, P;  Gramatica, P (reprint author), Univ Insubria, QSAR Res Unit Environm Chem & Ecotoxicol, Dept Struct & Funct Biol, Varese, Italy.
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Estrogen Receptor (Er)  Androgen Receptor (Ar)  Pleiotropic Edc  External Validation  Virtual Screening  
A new hybrid system of QSAR models for predicting bioconcentration factors (BCF) 期刊论文
CHEMOSPHERE, 2008, 卷号: 73, 期号: 11
Authors:  Zhao, CY;  Boriani, E;  Chana, A;  Roncaglioni, A;  Benfenati, E;  Benfenati, E (reprint author), Ist Ric Farmacol Mario Negri, Via La Masa 19, I-20156 Milan, Italy.
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Bioconcentration factors  Hybrid model  QSAR validation  REACH  
QSAR models for 2-amino-6-arylsulfonylbenzonitriles and congeners HIV-1 reverse transcriptase inhibitors based on linear and nonlinear regression methods 期刊论文
EUROPEAN JOURNAL OF MEDICINAL CHEMISTRY, 2009, 卷号: 44, 期号: 5
Authors:  Hu, RJ(胡荣静);  Doucet, JP;  Delamar, M;  Zhang, RS(张瑞生);  Delamar, M (reprint author), Univ Paris 07, ITODYS, CNRS UMR 7085, Batiment Lavoisier,15 Rue Jean Antoine Baif, F-75205 Paris 13, France.
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QSAR  HIV-1 non-nucleoside reverse transcriptase inhibitors  NNRTI  SVM  PPR  
QSAR study of polychlorinated dibenzodioxins, dibenzofurans, and Biphenyls using the heuristic method and support vector machine 期刊论文
QSAR COMB SCI, 2006, 卷号: 25, 期号: 1
Authors:  Luan, F;  Ma, WP;  Zhang, XY(张晓昀);  Zhang, HX(张海霞);  Liu, MC;  Hu, ZD(胡之德);  Fan, BT;  Luan, F (reprint author), Lanzhou Univ, Dept Chem, Lanzhou 730000, Peoples R China.
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QSAR  SVM  PCDFs  PCDDs  PCBs  
Study of Human Dopamine Sulfotransferases Based on Gene Expression Programming 期刊论文
Chemical Biology & Drug Design, 2011, 卷号: 78, 期号: 3
Authors:  Si, HZ;  Zhao, JG;  Cui, LH;  Lian, N;  Feng, HL;  Duan, YB;  Hu, ZD(胡之德);  Si, HZ (reprint author), Qingdao Univ, Inst Computat Sci & Engn, Lab New Fibrous Mat & Modern Text, Growing Base State Key Lab, Qingdao 266071, Shandong, Peoples R China.
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gene expression programming  heuristic method  Km  quantitative structure-activity relationship  sulfotransferases  
Applicability Domains for Classification Problems: Benchmarking of Distance to Models for Ames Mutagenicity Set 期刊论文
Journal of Chemical Information and Modeling, 2010, 卷号: 50, 期号: 12
Authors:  Sushko, I;  Novotarskyi, S;  Korner, R;  Pandey, AK;  Cherkasov, A;  Lo, JZ;  Gramatica, P;  Hansen, K;  Schroeter, T;  Muller, KR...Sushko, I;  Novotarskyi, S;  Korner, R;  Pandey, AK;  Cherkasov, A;  Lo, JZ;  Gramatica, P;  Hansen, K;  Schroeter, T;  Muller, KR;  Xi, LL;  Liu, HX;  Yao, XJ(姚小军);  Oberg, T;  Hormozdiari, F;  Dao, PH;  Sahinalp, C;  Todeschini, R;  Polishchuk, P;  Artemenko, A;  Kuz'min, V;  Martin, TM;  Young, DM;  Fourches, D;  Muratov, E;  Tropsha, A;  Baskin, I;  Horvath, D;  Marcou, G;  Muller, C;  Varnek, A;  Prokopenko, VV;  Tetko, IV;  Tetko, IV (reprint author), German Res Ctr Environm Hlth GmbH, Helmholtz Zentrum Muenchen, Inst Bioinformat & Syst Biol, Ingolstaedter Landstr I, D-85764 Neuherberg, Germany.
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