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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:30/0
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(李书艳);  Shen, YL;  Yao, XJ(姚小军)
  |  View/Download:38/0
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)
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)
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)
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:22/0
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:29/0
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:14/0
Quantitative structure property relationship models for the prediction of liquid heat capacity [会议论文]
10th International Workshop on Quantitative Structure-Activity Relationships in Environmental Sciences (QSAR 2002), OTTAWA, CANADA, MAY 25-29, 2002
Yao, XJ(姚小军);  Fan, BT;  Doucet, JP;  Panaye, A;  Liu, MC;  Zhang, RS(张瑞生);  Zhang, XY(张晓昀);  Hu, ZD(胡之德)



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