Tropsha A - Search Results

1

Quantitative high-throughput screening for chemical toxicity in a population-based in vitro model.

Lock EF, Abdo N, Huang R, Xia M, Kosyk O, O'Shea SH, Zhou YH, Sedykh A, Tropsha A, Austin CP, Tice RR, Wright FA, Rusyn I. Lock EF, et al. Among authors: tropsha a. Toxicol Sci. 2012 Apr;126(2):578-88. doi: 10.1093/toxsci/kfs023. Epub 2012 Jan 19. Toxicol Sci. 2012. PMID: 22268004 Free PMC article.

2

Use of cell viability assay data improves the prediction accuracy of conventional quantitative structure-activity relationship models of animal carcinogenicity.

Zhu H, Rusyn I, Richard A, Tropsha A. Zhu H, et al. Among authors: tropsha a. Environ Health Perspect. 2008 Apr;116(4):506-13. doi: 10.1289/ehp.10573. Environ Health Perspect. 2008. PMID: 18414635 Free PMC article.

3

A novel two-step hierarchical quantitative structure-activity relationship modeling work flow for predicting acute toxicity of chemicals in rodents.

Zhu H, Ye L, Richard A, Golbraikh A, Wright FA, Rusyn I, Tropsha A. Zhu H, et al. Among authors: tropsha a. Environ Health Perspect. 2009 Aug;117(8):1257-64. doi: 10.1289/ehp.0800471. Epub 2009 Apr 3. Environ Health Perspect. 2009. PMID: 19672406 Free PMC article.

4

Quantitative structure-activity relationship modeling of rat acute toxicity by oral exposure.

Zhu H, Martin TM, Ye L, Sedykh A, Young DM, Tropsha A. Zhu H, et al. Among authors: tropsha a. Chem Res Toxicol. 2009 Dec;22(12):1913-21. doi: 10.1021/tx900189p. Chem Res Toxicol. 2009. PMID: 19845371 Free PMC article.

5

Modeling liver-related adverse effects of drugs using knearest neighbor quantitative structure-activity relationship method.

Rodgers AD, Zhu H, Fourches D, Rusyn I, Tropsha A. Rodgers AD, et al. Among authors: tropsha a. Chem Res Toxicol. 2010 Apr 19;23(4):724-32. doi: 10.1021/tx900451r. Chem Res Toxicol. 2010. PMID: 20192250 Free PMC article.

6

Use of in vitro HTS-derived concentration-response data as biological descriptors improves the accuracy of QSAR models of in vivo toxicity.

Sedykh A, Zhu H, Tang H, Zhang L, Richard A, Rusyn I, Tropsha A. Sedykh A, et al. Among authors: tropsha a. Environ Health Perspect. 2011 Mar;119(3):364-70. doi: 10.1289/ehp.1002476. Epub 2010 Oct 27. Environ Health Perspect. 2011. PMID: 20980217 Free PMC article.

7

Predicting drug-induced hepatotoxicity using QSAR and toxicogenomics approaches.

Low Y, Uehara T, Minowa Y, Yamada H, Ohno Y, Urushidani T, Sedykh A, Muratov E, Kuz'min V, Fourches D, Zhu H, Rusyn I, Tropsha A. Low Y, et al. Among authors: tropsha a. Chem Res Toxicol. 2011 Aug 15;24(8):1251-62. doi: 10.1021/tx200148a. Epub 2011 Jul 21. Chem Res Toxicol. 2011. PMID: 21699217 Free PMC article.

8

Combined application of cheminformatics- and physical force field-based scoring functions improves binding affinity prediction for CSAR data sets.

Hsieh JH, Yin S, Liu S, Sedykh A, Dokholyan NV, Tropsha A. Hsieh JH, et al. Among authors: tropsha a. J Chem Inf Model. 2011 Sep 26;51(9):2027-35. doi: 10.1021/ci200146e. Epub 2011 Aug 30. J Chem Inf Model. 2011. PMID: 21780807 Free PMC article.

9

Predictive modeling of chemical hazard by integrating numerical descriptors of chemical structures and short-term toxicity assay data.

Rusyn I, Sedykh A, Low Y, Guyton KZ, Tropsha A. Rusyn I, et al. Among authors: tropsha a. Toxicol Sci. 2012 May;127(1):1-9. doi: 10.1093/toxsci/kfs095. Epub 2012 Mar 2. Toxicol Sci. 2012. PMID: 22387746 Free PMC article.

10

Recent trends in statistical QSAR modeling of environmental chemical toxicity.

Tropsha A. Tropsha A. Exp Suppl. 2012;101:381-411. doi: 10.1007/978-3-7643-8340-4_13. Exp Suppl. 2012. PMID: 22945576

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