1.QSAR and classification study of 1,4-dihydropyridine calcium channel antagonists based on least squares support vector machines

Yao, XJ, Liu, HX, Zh     More...

Yao, XJ, Liu, HX, Zhang, RS, Liu, MC, Hu, ZD, Panaye, A, Doucet, JP, Fan, BT     Less

MOLECULAR PHARMACEUTICS[1543-8384], Published 2005, Volume 2, Issue 5, Pages 348-356

收錄情况： WOS SCOPUS

WOS核心合集引用: 59  2023影響因子:  4.5 

2.Classification of the carcinogenicity of N-nitroso compounds based on support vector machines and linear discriminant analysis

Luan, F, Zhang, RS,     More...

Luan, F, Zhang, RS, Zhao, CY, Yao, XJ, Liu, MC, Hu, ZD, Fan, BT     Less

CHEMICAL RESEARCH IN TOXICOLOGY[0893-228X], Published 2005, Volume 18, Issue 2, Pages 198-203

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WOS核心合集引用: 61  2023影響因子:  3.7  发表年影響因子:  3.339 

3.Comparative classification study of toxicity mechanisms using support vector machines and radial basis function neural networks

Yao, XJ, Panaye, A,     More...

Yao, XJ, Panaye, A, Doucet, JP, Chen, HF, Zhang, RS, Fan, BT, Liu, MC, Hu, ZD     Less

ANALYTICA CHIMICA ACTA[0003-2670], Published 2005, Volume 535, Issue 1-2, Pages 259-273

收錄情况： WOS SCOPUS

WOS核心合集引用: 63  2023影響因子:  5.7  发表年影響因子:  2.760 

4.Support vector machine-based QSPR for the prediction of van der Waals' constants

Luan, F, Zhang, RS,     More...

Luan, F, Zhang, RS, Yao, XJ, Liu, MC, Hu, ZD, Fan, BT     Less

QSAR & COMBINATORIAL SCIENCE[1611-020X], Published 2005, Volume 24, Issue 2, Pages 227-239

收錄情况： WOS SCOPUS

WOS核心合集引用: 13  发表年影響因子:  1.826 

5.The prediction of human oral absorption for diffusion rate-limited drugs based on heuristic method and support vector machine

Liu, HX, Hu, RJ, Zha     More...

Liu, HX, Hu, RJ, Zhang, RS, Yao, XJ, Liu, MC, Hu, ZD, Fan, BT     Less

JOURNAL OF COMPUTER-AIDED MOLECULAR DESIGN[0920-654X], Published 2005, Volume 19, Issue 1, Pages 33-46

收錄情况： WOS SCOPUS

WOS核心合集引用: 38  2023影響因子:  3.0  发表年影響因子:  2.082 

6.Study of quantitative structure-mobility relationship of the peptides based on the structural descriptors and support vector machines

Liu, HX, Yao, XJ, Xu     More...

Liu, HX, Yao, XJ, Xue, CX, Zhang, RS, Liu, MC, Hu, ZD, Fan, BT     Less

ANALYTICA CHIMICA ACTA[0003-2670], Published 2005, Volume 542, Issue 2, Pages 249-259

收錄情况： WOS SCOPUS

WOS核心合集引用: 21  2023影響因子:  5.7  发表年影響因子:  2.760 

7.Development of migration models for acids in capillary electrophoresis using heuristic and radial basis function neural network methods

Xue, CX, Yao, XJ, Li     More...

Xue, CX, Yao, XJ, Liu, HX, Liu, MC, Hu, ZD, Fan, BT     Less

ELECTROPHORESIS[0173-0835], Published 2005, Volume 26, Issue 11, Pages 2154-2164

收錄情况： WOS SCOPUS

WOS核心合集引用: 6  2023影響因子:  3.0  发表年影響因子:  3.850 

8.QSPR prediction of GC retention indices for nitrogen-containing polycyclic aromatic compounds from heuristically computed molecular descriptors

Hu, RJ, Liu, HX, Zha     More...

Hu, RJ, Liu, HX, Zhang, RS, Xue, CX, Yao, XJ, Liu, MC, Hu, ZD, Fan, BT     Less

TALANTA[0039-9140], Published 2005, Volume 68, Issue 1, Pages 31-39

收錄情况： WOS SCOPUS

WOS核心合集引用: 36  2023影響因子:  5.6  发表年影響因子:  2.391 

9.Accurate quantitative structure-property relationship model to predict the solubility of C-60 in various solvents based on a novel approach using a least-squares support vector machine

Liu, HX, Yao, XJ, Zh     More...

Liu, HX, Yao, XJ, Zhang, RS, Liu, MC, Hu, ZD, Fan, BT     Less

JOURNAL OF PHYSICAL CHEMISTRY B[1520-6106], Published 2005, Volume 109, Issue 43, Pages 20565-20571

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WOS核心合集引用: 122  2023影響因子:  2.8  发表年影響因子:  4.033 

10.Prediction of the tissue/blood partition coefficients of organic compounds based on the molecular structure using least-squares support vector machines

Liu, HX, Yao, XJ, Zh     More...

Liu, HX, Yao, XJ, Zhang, RS, Liu, MC, Hu, ZD, Fan, BT     Less

JOURNAL OF COMPUTER-AIDED MOLECULAR DESIGN[0920-654X], Published 2005, Volume 19, Issue 7, Pages 499-508

收錄情况： WOS SCOPUS

WOS核心合集引用: 32  2023影響因子:  3.0  发表年影響因子:  2.082 

11.Prediction of retention in micellar electrokinetic chromatography based on molecular structural descriptors by using the heuristic method

Liu, HX, Yao, XJ, Li     More...

Liu, HX, Yao, XJ, Liu, MC, Hu, ZD, Fan, BT     Less

ANALYTICA CHIMICA ACTA[0003-2670], Published 2006, Volume 558, Issue 1-2, Pages 86-93

收錄情况： WOS SCOPUS

WOS核心合集引用: 5  2023影響因子:  5.7  发表年影響因子:  2.894 

12.Quantitative structure-toxicity relationships (QSTRs): A comparative study of various non linear methods. General regression neural network, radial basis function neural network and support vector machine in predicting toxicity of nitro- and cyano- aromatics to Tetrahymena pyriformis

Panaye, A, Fan, BT,     More...

Panaye, A, Fan, BT, Doucet, JP, Yao, XJ, Zhang, RS, Liu, MC, Hu, ZD     Less

SAR AND QSAR IN ENVIRONMENTAL RESEARCH[1062-936X], Published 2006, Volume 17, Issue 1, Pages 75-91

收錄情况： WOS SCOPUS

WOS核心合集引用: 21  2023影響因子:  2.3  发表年影響因子:  1.630 

13.Prediction of binding rate of drug to human plasma protein based on heuristic method and support vector machine

Si, HZ, Yao, XJ, Liu     More...

Si, HZ, Yao, XJ, Liu, HX, Wang, J, Li, JZ, Hu, ZD, Liu, MC     Less

ACTA CHIMICA SINICA[0567-7351], Published 2006, Volume 64, Issue 5, Pages 415-422

收錄情况： WOS SCOPUS

WOS核心合集引用: 5  2023影響因子:  1.7  发表年影響因子:  0.783 

14.The accurate QSPR models to predict the bioconcentration factors of nonionic organic compounds based on the heuristic method and support vector machine

Liu, HX, Yao, XJ, Zh     More...

Liu, HX, Yao, XJ, Zhang, RS, Liu, MC, Hu, ZD, Fan, BT     Less

CHEMOSPHERE[0045-6535], Published 2006, Volume 63, Issue 5, Pages 722-733

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WOS核心合集引用: 41  2023影響因子:  8.1  发表年影響因子:  2.442 

15.Classification study of skin sensitizers based on support vector machine and linear discriminant analysis

Ren, YY, Liu, HX, Xu     More...

Ren, YY, Liu, HX, Xue, CX, Yao, XJ, Liu, MC, Fan, BT     Less

ANALYTICA CHIMICA ACTA[0003-2670], Published 2006, Volume 572, Issue 2, Pages 272-282

收錄情况： WOS SCOPUS

WOS核心合集引用: 37  2023影響因子:  5.7  发表年影響因子:  2.894 

16.Molecular modeling and spectroscopic studies on the binding of guaiacol to human serum albumin

He, WY, Li, Y, Si, H     More...

He, WY, Li, Y, Si, HZ, Dong, YM, Sheng, FL, Yao, XJ, Hu, ZD     Less

JOURNAL OF PHOTOCHEMISTRY AND PHOTOBIOLOGY A-CHEMISTRY[1010-6030], Published 2006, Volume 182, Issue 2, Pages 158-167

收錄情况： WOS SCOPUS

WOS核心合集引用: 94  2023影響因子:  4.1  发表年影響因子:  2.098 

17.The interaction between N-n-undecyl-N '-(sodium p-aminobenzenesulfonate) thiourea and serum albumin studied using various spectroscopies and the molecular modeling method

Cui, FL, Cui, YR, Lu     More...

Cui, FL, Cui, YR, Luo, HX, Yao, XJ, Fan, J, Lu, Y     Less

BIOPOLYMERS[0006-3525], Published 2006, Volume 83, Issue 2, Pages 170-181

收錄情况： WOS SCOPUS

WOS核心合集引用: 7  2023影響因子:  3.2  发表年影響因子:  2.480 

18.The accurate QSPR models for the prediction of nonionic surfactant cloud point

Ren, YY, Liu, HX, Ya     More...

Ren, YY, Liu, HX, Yao, XJ, Liu, MC, Hu, ZD, Fan, BT     Less

JOURNAL OF COLLOID AND INTERFACE SCIENCE[0021-9797], Published 2006, Volume 302, Issue 2, Pages 669-672

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WOS核心合集引用: 27  2023影響因子:  9.4  发表年影響因子:  2.233 

19.Interaction of APT with BSA or HSA

Cui, FL, Cui, YR, Lu     More...

Cui, FL, Cui, YR, Luo, HX, Yao, XJ, Fan, J, Lu, Y     Less

CHINESE SCIENCE BULLETIN[1001-6538], Published 2006, Volume 51, Issue 18, Pages 2201-2207

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WOS核心合集引用: 27  发表年影響因子:  0.722 

20.Synthesis and biological evaluation of new 4 beta-5-Fu-substituted 4 '-demethylepipodophyllotoxin derivatives

Zhang, FM, Yao, XJ,     More...

Zhang, FM, Yao, XJ, Tian, X, Tu, YQ     Less

MOLECULES[1420-3049], Published 2006, Volume 11, Issue 11, Pages 849-857

收錄情况： WOS SCOPUS

WOS核心合集引用: 18  2023影響因子:  4.2  发表年影響因子:  0.841