Kühne R - Search Results

1

White paper on the promotion of an integrated risk assessment concept in European regulatory frameworks for chemicals.

Wilks MF, Roth N, Aicher L, Faust M, Papadaki P, Marchis A, Calliera M, Ginebreda A, Andres S, Kühne R, Schüürmann G; HEROIC consortium. Wilks MF, et al. Among authors: kuhne r. Sci Total Environ. 2015 Jul 15;521-522:211-8. doi: 10.1016/j.scitotenv.2015.03.065. Epub 2015 Apr 1. Sci Total Environ. 2015. PMID: 25841074

2

Stepwise discrimination between four modes of toxic action of phenols in the Tetrahymena pyriformis assay.

Schüürmann G, Aptula AO, Kühne R, Ebert RU. Schüürmann G, et al. Among authors: kuhne r. Chem Res Toxicol. 2003 Aug;16(8):974-87. doi: 10.1021/tx0340504. Chem Res Toxicol. 2003. PMID: 12924925

3

Structural alerts--a new classification model to discriminate excess toxicity from narcotic effect levels of organic compounds in the acute daphnid assay.

von der Ohe PC, Kühne R, Ebert RU, Altenburger R, Liess M, Schüürmann G. von der Ohe PC, et al. Among authors: kuhne r. Chem Res Toxicol. 2005 Mar;18(3):536-55. doi: 10.1021/tx0497954. Chem Res Toxicol. 2005. PMID: 15777094

4

Prediction of the temperature dependency of Henry's law constant from chemical structure.

Kühne R, Ebert RU, Schüürmann G. Kühne R, et al. Environ Sci Technol. 2005 Sep 1;39(17):6705-11. doi: 10.1021/es050527h. Environ Sci Technol. 2005. PMID: 16190230

5

Model selection based on structural similarity-method description and application to water solubility prediction.

Kühne R, Ebert RU, Schüürmann G. Kühne R, et al. J Chem Inf Model. 2006 Mar-Apr;46(2):636-41. doi: 10.1021/ci0503762. J Chem Inf Model. 2006. PMID: 16562993

6

Prediction of the sorption of organic compounds into soil organic matter from molecular structure.

Schüürmann G, Ebert RU, Kühne R. Schüürmann G, et al. Among authors: kuhne r. Environ Sci Technol. 2006 Nov 15;40(22):7005-11. doi: 10.1021/es060152f. Environ Sci Technol. 2006. PMID: 17154008

7

Comment on "Discriminating toxicant classes by mode of action: 3. Substructure indicators" (M. Nendza and M. Müller, SAR QSAR Environ. Res. 18 155 (2007)).

Von der Ohe PC, Kühne R, Ebert RU, Schüürmann G. Von der Ohe PC, et al. Among authors: kuhne r. SAR QSAR Environ Res. 2007 Oct-Dec;18(7-8):621-4; author reply 625-8. doi: 10.1080/10629360701698571. SAR QSAR Environ Res. 2007. PMID: 18038362 No abstract available.

8

Indirect photolysis of organic compounds: prediction of OH reaction rate constants through molecular orbital calculations.

Böhnhardt A, Kühne R, Ebert RU, Schüürmann G. Böhnhardt A, et al. Among authors: kuhne r. J Phys Chem A. 2008 Nov 13;112(45):11391-9. doi: 10.1021/jp8052218. Epub 2008 Oct 17. J Phys Chem A. 2008. PMID: 18925728

9

External validation and prediction employing the predictive squared correlation coefficient test set activity mean vs training set activity mean.

Schüürmann G, Ebert RU, Chen J, Wang B, Kühne R. Schüürmann G, et al. Among authors: kuhne r. J Chem Inf Model. 2008 Nov;48(11):2140-5. doi: 10.1021/ci800253u. J Chem Inf Model. 2008. PMID: 18954136

10

Modeling the H bond donor strength of -OH, -NH, and -CH sites by local molecular parameters.

Schwöbel J, Ebert RU, Kühne R, Schüürmann G. Schwöbel J, et al. Among authors: kuhne r. J Comput Chem. 2009 Jul 15;30(9):1454-64. doi: 10.1002/jcc.21166. J Comput Chem. 2009. PMID: 19037860

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