Schüürmann G - Search Results

1

Structure-based classification of antibacterial activity.

Cronin MT, Aptula AO, Dearden JC, Duffy JC, Netzeva TI, Patel H, Rowe PH, Schultz TW, Worth AP, Voutzoulidis K, Schüürmann G. Cronin MT, et al. Among authors: schuurmann g. J Chem Inf Comput Sci. 2002 Jul-Aug;42(4):869-78. doi: 10.1021/ci025501d. J Chem Inf Comput Sci. 2002. PMID: 12132888

2

Quantitative structure-property relationships for predicting Henry's law constant from molecular structure.

Dearden JC, Schüürmann G. Dearden JC, et al. Among authors: schuurmann g. Environ Toxicol Chem. 2003 Aug;22(8):1755-70. doi: 10.1897/01-605. Environ Toxicol Chem. 2003. PMID: 12924576 Review.

3

Description of the electronic structure of organic chemicals using semiempirical and ab initio methods for development of toxicological QSARs.

Netzeva TI, Aptula AO, Benfenati E, Cronin MT, Gini G, Lessigiarska I, Maran U, Vracko M, Schüürmann G. Netzeva TI, et al. Among authors: schuurmann g. J Chem Inf Model. 2005 Jan-Feb;45(1):106-14. doi: 10.1021/ci049747p. J Chem Inf Model. 2005. PMID: 15667135

4

Prediction of michael-type acceptor reactivity toward glutathione.

Schwöbel JA, Wondrousch D, Koleva YK, Madden JC, Cronin MT, Schüürmann G. Schwöbel JA, et al. Among authors: schuurmann g. Chem Res Toxicol. 2010 Oct 18;23(10):1576-85. doi: 10.1021/tx100172x. Epub 2010 Sep 30. Chem Res Toxicol. 2010. PMID: 20882991

5

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. Chem Res Toxicol. 2003 Aug;16(8):974-87. doi: 10.1021/tx0340504. Chem Res Toxicol. 2003. PMID: 12924925

6

Chemical Safety Assessment Using Read-Across: Assessing the Use of Novel Testing Methods to Strengthen the Evidence Base for Decision Making.

Berggren E, Amcoff P, Benigni R, Blackburn K, Carney E, Cronin M, Deluyker H, Gautier F, Judson RS, Kass GE, Keller D, Knight D, Lilienblum W, Mahony C, Rusyn I, Schultz T, Schwarz M, Schüürmann G, White A, Burton J, Lostia AM, Munn S, Worth A. Berggren E, et al. Among authors: schuurmann g. Environ Health Perspect. 2015 Dec;123(12):1232-40. doi: 10.1289/ehp.1409342. Epub 2015 May 8. Environ Health Perspect. 2015. PMID: 25956009 Free PMC article. Review.

7

Analysis of the flow patterns of liquid organic compounds between blade electrodes by classification models.

Iwai Y, Yoshida K, Arai Y, Schuurmann G, Loeprecht B, Fabian WM, Suzuki T. Iwai Y, et al. Among authors: schuurmann g. J Chem Inf Comput Sci. 2000 Jul;40(4):988-93. doi: 10.1021/ci990145t. J Chem Inf Comput Sci. 2000. PMID: 10955528

8

Tautomer identification and tautomer structure generation based on the InChI code.

Thalheim T, Vollmer A, Ebert RU, Kühne R, Schüürmann G. Thalheim T, et al. Among authors: schuurmann g. J Chem Inf Model. 2010 Jul 26;50(7):1223-32. doi: 10.1021/ci1001179. J Chem Inf Model. 2010. PMID: 20666407

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. J Chem Inf Model. 2008 Nov;48(11):2140-5. doi: 10.1021/ci800253u. J Chem Inf Model. 2008. PMID: 18954136

10

Mixture toxicity and its modeling by quantitative structure-activity relationships.

Altenburger R, Nendza M, Schüürmann G. Altenburger R, et al. Among authors: schuurmann g. Environ Toxicol Chem. 2003 Aug;22(8):1900-15. doi: 10.1897/01-386. Environ Toxicol Chem. 2003. PMID: 12924589 Review.

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