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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
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
  |  View/Download:66/0
 
QSAR Studies on Aminothiazole Derivatives as Aurora A Kinase Inhibitors [期刊论文]
CHEMICAL BIOLOGY & DRUG DESIGN, 2010, 卷号: 76, 期号: 6
Qin, J;  Xi, LL;  Du, JA;  Liu, HX;  Yao, XJ(姚小军)
  |  View/Download:37/0
 
Interaction of 3 '-azido-3 '-deamino daunorubicin with human serum albumin: Investigation by fluorescence spectroscopy and molecular modeling methods [期刊论文]
BIOORGANIC & MEDICINAL CHEMISTRY LETTERS, 2010, 卷号: 20, 期号: 23
Lu, Y;  Feng, QQ;  Cui, FL;  Xing, WW;  Zhang, GS;  Yao, XJ(姚小军)
  |  View/Download:22/0
 
Facile and Efficient Synthesis of Benzoxazoles and Benzimidazoles: The Application of Hantzsch Ester 1,4-Dihydropyridines in Reductive Cyclization Reactions [期刊论文]
EUROPEAN JOURNAL OF ORGANIC CHEMISTRY, 2010, 期号: 34
Xing, RG;  Li, YN;  Liu, QA;  Meng, QY;  Li, J;  Shen, XX;  Liu, ZG;  Zhou, B(周波);  Yao, XJ(姚小军);  Liu, ZL(刘中立)
  |  View/Download:57/0
 
Structure-Based Quantitative Structure-Activity Relationship Studies of Checkpoint Kinase 1 Inhibitors [期刊论文]
JOURNAL OF COMPUTATIONAL CHEMISTRY, 2010, 卷号: 31, 期号: 15
Du, JA;  Xi, LL;  Lei, BL;  Lu, J;  Li, JZ;  Liu, HX;  Yao, XJ(姚小军)
  |  View/Download:32/0
 
Azonazine, a Novel Dipeptide from a Hawaiian Marine Sediment-Derived Fungus, Aspergillus insulicola [期刊论文]
ORGANIC LETTERS, 2010, 卷号: 12, 期号: 20
Wu, QX(武全香);  Crews, MS;  Draskovic, M;  Sohn, J;  Johnson, TA;  Tenney, K;  Valeriote, FA;  Yao, XJ(姚小军);  Bjeldanes, LF;  Crews, P
  |  View/Download:34/0
 
Prediction of infinite-dilution activity coefficients of organic solutes in ionic liquids using temperature-dependent quantitative structure-property relationship method [期刊论文]
CHEMICAL ENGINEERING JOURNAL, 2010, 卷号: 163, 期号: 3
Xi, LL;  Sun, HJ;  Li, JZ;  Liu, HX;  Yao, XJ(姚小军);  Gramatica, P
  |  View/Download:80/0
 
Molecular Basis of the Selectivity of the Immunoproteasome Catalytic Subunit LMP2-Specific Inhibitor Revealed by Molecular Modeling and Dynamics Simulations [期刊论文]
JOURNAL OF PHYSICAL CHEMISTRY B, 2010, 卷号: 114, 期号: 38
Lei, BL;  Hameed, MDMA;  Hamza, A;  Wehenkel, M;  Muzyka, JL;  Yao, XJ(姚小军);  Kim, KB;  Zhan, CG
  |  View/Download:32/0
 
Prediction of the adsorption capability onto activated carbon of a large data set of chemicals by local lazy regression method [期刊论文]
ATMOSPHERIC ENVIRONMENT, 2010, 卷号: 44, 期号: 25
Lei, BL;  Ma, YM;  Li, JZ;  Liu, HX;  Yao, XJ(姚小军);  Gramatica, P
  |  View/Download:19/0
 
Molecular modeling studies of Rho kinase inhibitors using molecular docking and 3D-QSAR analysis [期刊论文]
EUROPEAN JOURNAL OF MEDICINAL CHEMISTRY, 2010, 卷号: 45, 期号: 7, 页码: 2768-2776
Qin, J;  Lei, BL;  Xi, LL;  Liu, HX(刘焕香);  Yao, XJ(姚小军)
View/Download:7/0
 

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