Tuppurainen K - Search Results

1

Spectroscopic QSAR methods and self-organizing molecular field analysis for relating molecular structure and estrogenic activity.

Asikainen A, Ruuskanen J, Tuppurainen K. Asikainen A, et al. Among authors: tuppurainen k. J Chem Inf Comput Sci. 2003 Nov-Dec;43(6):1974-81. doi: 10.1021/ci034110b. J Chem Inf Comput Sci. 2003. PMID: 14632448

2

Performance of (consensus) kNN QSAR for predicting estrogenic activity in a large diverse set of organic compounds.

Asikainen AH, Ruuskanen J, Tuppurainen KA. Asikainen AH, et al. Among authors: tuppurainen ka. SAR QSAR Environ Res. 2004 Feb;15(1):19-32. doi: 10.1080/1062936032000169642. SAR QSAR Environ Res. 2004. PMID: 15113066 Review.

3

Consensus kNN QSAR: a versatile method for predicting the estrogenic activity of organic compounds in silico. A comparative study with five estrogen receptors and a large, diverse set of ligands.

Asikainen AH, Ruuskanen J, Tuppurainen KA. Asikainen AH, et al. Environ Sci Technol. 2004 Dec 15;38(24):6724-9. doi: 10.1021/es049665h. Environ Sci Technol. 2004. PMID: 15669333

4

Alternative QSAR models for selected estradiol and cytochrome P450 ligands: comparison between classical, spectroscopic, CoMFA and GRID/GOLPE methods.

Asikainen AH, Ruuskanen J, Tuppurainen KA. Asikainen AH, et al. Among authors: tuppurainen ka. SAR QSAR Environ Res. 2005 Dec;16(6):555-65. doi: 10.1080/10659360500474755. SAR QSAR Environ Res. 2005. PMID: 16428131

5

Structure-based classification of active and inactive estrogenic compounds by decision tree, LVQ and kNN methods.

Asikainen A, Kolehmainen M, Ruuskanen J, Tuppurainen K. Asikainen A, et al. Among authors: tuppurainen k. Chemosphere. 2006 Jan;62(4):658-73. doi: 10.1016/j.chemosphere.2005.04.115. Epub 2005 Jun 29. Chemosphere. 2006. PMID: 15992856

6

NMR and molecular modeling in environmental chemistry: prediction of 13C chemical shifts in selected C10-chloroterpenes employing DFT/GIAO theory.

Tuppurainen K, Ruuskanen J. Tuppurainen K, et al. Chemosphere. 2003 Feb;50(5):603-9. doi: 10.1016/s0045-6535(02)00618-5. Chemosphere. 2003. PMID: 12685736

7

Perspectives on the formation of polychlorinated dibenzo-p-dioxins and dibenzofurans during municipal solid waste (MSW) incineration and other combustion processes.

Tuppurainen K, Asikainen A, Ruokojärvi P, Ruuskanen J. Tuppurainen K, et al. Acc Chem Res. 2003 Sep;36(9):652-8. doi: 10.1021/ar020104+. Acc Chem Res. 2003. PMID: 12974648 Review.

8

Electronic eigenvalue (EEVA): a new QSAR/QSPR descriptor for electronic substituent effects based on molecular orbital energies. A QSAR approach to the Ah receptor binding affinity of polychlorinated biphenyls (PCBs), dibenzo-p-dioxins (PCDDs) and dibenzofurans (PCDFs).

Tuppurainen K, Ruuskanen J. Tuppurainen K, et al. Chemosphere. 2000 Sep;41(6):843-8. doi: 10.1016/s0045-6535(99)00525-1. Chemosphere. 2000. PMID: 10864156

9

Performance of multicomponent self-organizing regression (MCSOR) in QSAR, QSPR, and multivariate calibration: comparison with partial least-squares (PLS) and validation with large external data sets.

Tuppurainen K, Korhonen SP, Ruuskanen J. Tuppurainen K, et al. SAR QSAR Environ Res. 2006 Dec;17(6):549-61. doi: 10.1080/10629360601033390. SAR QSAR Environ Res. 2006. PMID: 17162386

10

Chemical inhibition of PCDD/F formation in incineration processes.

Ruokojärvi PH, Asikainen AH, Tuppurainen KA, Ruuskanen J. Ruokojärvi PH, et al. Sci Total Environ. 2004 Jun 5;325(1-3):83-94. doi: 10.1016/j.scitotenv.2003.11.006. Sci Total Environ. 2004. PMID: 15144780

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