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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:63/0
 
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:36/0
 
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:21/0
 
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; Yao, XJ(姚小军); Liu, ZL(刘中立)
  |  View/Download:55/0
 
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:29/0
 
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; Crews, MS; Draskovic, M; Sohn, J; Johnson, TA; Tenney, K; Valeriote, FA; Yao, XJ(姚小军); Bjeldanes, LF; Crews, P
  |  View/Download:32/0
 
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:79/0
 
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:18/0
 
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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