Doucet JP - Search Results

1

Quantitative prediction of liquid chromatography retention of N-benzylideneanilines based on quantum chemical parameters and radial basis function neural network.

Xiang YH, Liu MC, Zhang XY, Zhang RS, Hu ZD, Fan BT, Doucet JP, Panaye A. Xiang YH, et al. Among authors: doucet jp. J Chem Inf Comput Sci. 2002 May-Jun;42(3):592-7. doi: 10.1021/ci010067l. J Chem Inf Comput Sci. 2002. PMID: 12086519

2

Comparative study of QSAR/QSPR correlations using support vector machines, radial basis function neural networks, and multiple linear regression.

Yao XJ, Panaye A, Doucet JP, Zhang RS, Chen HF, Liu MC, Hu ZD, Fan BT. Yao XJ, et al. Among authors: doucet jp. J Chem Inf Comput Sci. 2004 Jul-Aug;44(4):1257-66. doi: 10.1021/ci049965i. J Chem Inf Comput Sci. 2004. PMID: 15272833

3

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

Yao X, Liu H, Zhang R, Liu M, Hu Z, Panaye A, Doucet JP, Fan B. Yao X, et al. Among authors: doucet jp. Mol Pharm. 2005 Sep-Oct;2(5):348-56. doi: 10.1021/mp050027v. Mol Pharm. 2005. PMID: 16196487

4

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, Doucet JP, Yao XJ, Zhang RS, Liu MC, Hu ZD. Panaye A, et al. Among authors: doucet jp. SAR QSAR Environ Res. 2006 Feb;17(1):75-91. doi: 10.1080/10659360600562079. SAR QSAR Environ Res. 2006. PMID: 16513553

5

SIRS-SS: a system for simulating IR/Raman spectra. 1. Substructure/subspectrum correlation.

Yao J, Fan B, Doucet JP, Panaye A, Yuan S, Li J. Yao J, et al. Among authors: doucet jp. J Chem Inf Comput Sci. 2001 Jul-Aug;41(4):1046-52. doi: 10.1021/ci010010z. J Chem Inf Comput Sci. 2001. PMID: 11500123

6

SIRS-SS: a system for simulating IR/Raman spectra. 2. Procedures and performance.

Yao J, Fan B, Doucet JP, Panaye A, Li J, Sun C, Yuan S. Yao J, et al. Among authors: doucet jp. J Chem Inf Comput Sci. 2002 Mar-Apr;42(2):199-207. doi: 10.1021/ci010061w. J Chem Inf Comput Sci. 2002. PMID: 11911687

7

CISOC-PSCT: a predictive system for carcinogenic toxicity.

Liao Q, Yao JH, Li F, Yuan SG, Doucet JP, Panaye A, Fan BT. Liao Q, et al. Among authors: doucet jp. SAR QSAR Environ Res. 2004 Jun;15(3):217-35. doi: 10.1080/10629360410001697780. SAR QSAR Environ Res. 2004. PMID: 15293548

8

QSAR models for 2-amino-6-arylsulfonylbenzonitriles and congeners HIV-1 reverse transcriptase inhibitors based on linear and nonlinear regression methods.

Hu R, Doucet JP, Delamar M, Zhang R. Hu R, et al. Among authors: doucet jp. Eur J Med Chem. 2009 May;44(5):2158-71. doi: 10.1016/j.ejmech.2008.10.021. Epub 2008 Oct 30. Eur J Med Chem. 2009. PMID: 19054595

9

CoMFA/CoMSIA/HQSAR and Docking Study of the Binding Mode of Selective Cyclooxygenase (COX-2) Inhibitors.

Chen H, Li Q, Yao X, Fan B, Yuan S, Panaye A, Doucet JP. Chen H, et al. Among authors: doucet jp. QSAR Comb Sci. 2004 Feb;23(1):36-55. doi: 10.1002/qsar.200330844. Epub 2004 Feb 18. QSAR Comb Sci. 2004. PMID: 32327948 Free PMC article. Review.

10

MolDiA: a novel molecular diversity analysis tool. 1. Principles and architecture.

Maldonado AG, Doucet JP, Petitjean M, Fan BT. Maldonado AG, et al. Among authors: doucet jp. J Chem Inf Model. 2007 Nov-Dec;47(6):2197-207. doi: 10.1021/ci700120v. Epub 2007 Nov 3. J Chem Inf Model. 2007. PMID: 17979264

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