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QSPR Study on the Melting Points of a Diverse Set of Potential Ionic Liquids by Projection Pursuit Regression [期刊论文]
QSAR & COMBINATORIAL SCIENCE, 2009, 卷号: 28, 期号: 11-12
Ren, YY; Qin, J; Liu, HX; Yao, XJ(姚小军); Liu, MC
  |  View/Download:24/0
 
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 & COMBINATORIAL SCIENCE, 2008, 卷号: 27, 期号: 11-12
Chang, J; Lei, BL; Li, JZ; Li, SY; Shen, YL; Yao, XJ(姚小军)
  |  View/Download:33/0
 
QSAR models for the dermal penetration of polycyclic aromatic hydrocarbons based on Gene Expression Programming [期刊论文]
QSAR & COMBINATORIAL SCIENCE, 2008, 卷号: 27, 期号: 7
Wang, T; Si, HZ; Chen, PP; Zhang, KJ; Yao, XJ(姚小军)
View/Download:21/0
 
Accurate prediction of aquatic toxicity of aromatic compounds based on Genetic Algorithm and Least Squares Support Vector Machines [期刊论文]
QSAR & COMBINATORIAL SCIENCE, 2008, 卷号: 27, 期号: 7
Lei, BL; Li, JZ; Liu, HX; Yao, XJ(姚小军)
View/Download:18/0
 
In silico prediction of inhibition activity of pyrazine - Pyridine biheteroaryls as VEGFR-2 inhibitors based on least squares support vector machines [期刊论文]
QSAR & COMBINATORIAL SCIENCE, 2008, 卷号: 27, 期号: 2
Li, JZ; Qin, J; Liu, HX; Yao, XJ(姚小军); Liu, MC; Hu, ZD(胡之德)
View/Download:21/0
 
Quantitative Structure-Activity Relationship study on a series of novel ligands binding to central benzodiazepine receptor by using the combination of Heuristic Method and Support Vector Machines [期刊论文]
QSAR & COMBINATORIAL SCIENCE, 2007, 卷号: 26, 期号: 4
Qin, S; Liu, HX; Wang, J; Yao, XJ(姚小军); Liu, MC; Hu, ZD(胡之德); Fan, BT
  |  View/Download:21/0
 
Study on the structure-activity relationship of new anti-HIV nucleoside derivatives based on the support vector machine method [期刊论文]
QSAR & COMBINATORIAL SCIENCE, 2007, 卷号: 26, 期号: 2
Wang, J; Liu, HX; Qin, S; Yao, XJ(姚小军); Liu, MC; Hu, ZD(胡之德); Fan, BT
  |  View/Download:25/0
 
Support vector machine-based QSPR for the prediction of van der Waals' constants [期刊论文]
QSAR & COMBINATORIAL SCIENCE, 2005, 卷号: 24, 期号: 2
Luan, F; Zhang, RS(张瑞生); Yao, XJ(姚小军); Liu, MC; Hu, ZD(胡之德); Fan, BT
  |  View/Download:13/0
 

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