Fan B - Search Results

1

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

Liu H, Yao X, Zhang R, Liu M, Hu Z, Fan B. Liu H, et al. Among authors: fan b. Chemosphere. 2006 May;63(5):722-33. doi: 10.1016/j.chemosphere.2005.08.031. Epub 2005 Oct 14. Chemosphere. 2006. PMID: 16226786

2

An accurate QSPR study of O-H bond dissociation energy in substituted phenols based on support vector machines.

Xue CX, Zhang RS, Liu HX, Yao XJ, Liu MC, Hu ZD, Fan BT. Xue CX, et al. Among authors: fan bt. J Chem Inf Comput Sci. 2004 Mar-Apr;44(2):669-77. doi: 10.1021/ci034248u. J Chem Inf Comput Sci. 2004. PMID: 15032549

3

QSAR models for the prediction of binding affinities to human serum albumin using the heuristic method and a support vector machine.

Xue CX, Zhang RS, Liu HX, Yao XJ, Liu MC, Hu ZD, Fan BT. Xue CX, et al. Among authors: fan bt. J Chem Inf Comput Sci. 2004 Sep-Oct;44(5):1693-700. doi: 10.1021/ci049820b. J Chem Inf Comput Sci. 2004. PMID: 15446828

4

Quantitative prediction of logk of peptides in high-performance liquid chromatography based on molecular descriptors by using the heuristic method and support vector machine.

Liu HX, Xue CX, Zhang RS, Yao XJ, Liu MC, Hu ZD, Fan BT. Liu HX, et al. Among authors: fan bt. J Chem Inf Comput Sci. 2004 Nov-Dec;44(6):1979-86. doi: 10.1021/ci049891a. J Chem Inf Comput Sci. 2004. PMID: 15554667

5

QSAR and classification models of a novel series of COX-2 selective inhibitors: 1,5-diarylimidazoles based on support vector machines.

Liu HX, Zhang RS, Yao XJ, Liu MC, Hu ZD, Fan BT. Liu HX, et al. Among authors: fan bt. J Comput Aided Mol Des. 2004 Jun;18(6):389-99. doi: 10.1007/s10822-004-2722-1. J Comput Aided Mol Des. 2004. PMID: 15663000

6

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

Liu HX, Hu RJ, Zhang RS, Yao XJ, Liu MC, Hu ZD, Fan BT. Liu HX, et al. Among authors: fan bt. J Comput Aided Mol Des. 2005 Jan;19(1):33-46. doi: 10.1007/s10822-005-0095-8. J Comput Aided Mol Des. 2005. PMID: 16059665

7

Quantitative structure-activity relationship models for prediction of sensory irritants (logRD50) of volatile organic chemicals.

Luan F, Ma W, Zhang X, Zhang H, Liu M, Hu Z, Fan BT. Luan F, et al. Among authors: fan bt. Chemosphere. 2006 May;63(7):1142-53. doi: 10.1016/j.chemosphere.2005.09.053. Epub 2005 Nov 22. Chemosphere. 2006. PMID: 16307788

8

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, Zhang RS, Liu MC, Hu ZD, Fan BT. Liu HX, et al. Among authors: fan bt. J Comput Aided Mol Des. 2005 Jul;19(7):499-508. doi: 10.1007/s10822-005-9003-5. Epub 2005 Nov 30. J Comput Aided Mol Des. 2005. PMID: 16317501

9

Support vector machine and the heuristic method to predict the solubility of hydrocarbons in electrolyte.

Ma W, Zhang X, Luan F, Zhang H, Zhang R, Liu M, Hu Z, Fan BT. Ma W, et al. Among authors: fan bt. J Phys Chem A. 2005 Apr 21;109(15):3485-92. doi: 10.1021/jp0501446. J Phys Chem A. 2005. PMID: 16833686

10

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

Luan F, Zhang R, Zhao C, Yao X, Liu M, Hu Z, Fan B. Luan F, et al. Among authors: fan b. Chem Res Toxicol. 2005 Feb;18(2):198-203. doi: 10.1021/tx049782q. Chem Res Toxicol. 2005. PMID: 15720123

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