Grantee Research Project Results
Publications submitted after final report Details for Grant Number R833825
Carolina Center for Computational Toxicology
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| Reference Type | Citation | Progress Report Year (Date Added to Report) | Document Sources |
|---|---|---|---|
| Journal Article | Alves VM, Muratov E, Fourches D, Strickland J, Kleinstreuer N, Andrade CH, Tropsha A. Predicting chemically-induced skin reactions. Part I: QSAR models of skin sensitization and their application to identify potentially hazardous compounds. Toxicology and Applied Pharmacology 2015;284(2):262-272. |
R833825 (Final) (04/06/18) R835166 (Final) (04/05/18) |
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| Journal Article | Alves VM, Muratov E, Fourches D, Strickland J, Kleinstreuer N, Andrade CH, Tropsha A. Predicting chemically-induced skin reactions. Part II: QSAR models of skin permeability and the relationships between skin permeability and skin sensitization. Toxicology and Applied Pharmacology 2015; 284(2):273-280. |
R833825 (Final) (04/06/18) R835166 (Final) (04/05/18) |
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| Journal Article | Borysov P, Hannig J, Marron JS, Muratov E, Fourches D, Tropsha A. Activity prediction and identification of mis-annotated chemical compounds using extreme descriptors. Journal of Chemometrics 2016;30(3):99-108. |
R832720 (2009) (06/14/18) R833825 (Final) (06/14/18) |
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| Journal Article | Fourches D, Barnes JC, Day NC, Bradley P, Reed JZ, Tropsha A. Cheminformatics analysis of assertions mined from literature that describe drug-induced liver injury in different species. Chemical Research in Toxicology 2010;23(1):171-183. |
R833825 (Final) (06/14/18) |
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| Journal Article | Fourches D, Muratov E, Tropsha A. Trust, but verify: on the importance of chemical structure curation in cheminformatics and QSAR modeling research. Journal of Chemical Information and Modeling 2010;50(7):1189-1204. |
R832720 (2009) (06/14/18) R833825 (Final) (06/14/18) |
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| Journal Article | Fourches D, Muratov E, Ding F, Dokholyan NV, Tropsha A. Predicting binding affinity of CSAR ligands using both structure-based and ligand-based approaches. Journal of Chemical Information and Modeling 2013;53(8):1915-1922. |
R832720 (2009) (06/14/18) R833825 (Final) (06/14/18) |
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| Journal Article | Ha MJ, Sun W. Partial correlation matrix estimation using ridge penalty followed by thresholding and re-estimation. Biometrics 2014;70(3):765-773. |
R833825 (Final) (06/14/18) |
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| Journal Article | Low YS, Sedykh AY, Rusyn I, Tropsha A. Integrative approaches for predicting in vivo effects of chemicals from their structural descriptors and the results of short-term biological assays. Current Topics in Medicinal Chemistry 2014;14(11):1356-1364. |
R832720 (2009) (06/14/18) R833825 (Final) (06/14/18) R834999 (Final) (04/29/25) R835166 (2016) (06/18/18) |
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| Journal Article | Muratov EN, Varlamova EV, Artemenko AG, Khristova T, Kuz'min VE, Makarov VA, Riabova OB, Wutzler P, Schmidtke M. QSAR analysis of [(biphenyloxy)propyl] isoxazoles: agents against coxsackievirus B3. Future Medicinal Chemistry 2011;3(1):15-27. |
R832720 (2009) (06/14/18) R833825 (Final) (06/14/18) |
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| Journal Article | Muratov EN, Varlamova EV, Artemenko AG, Polishchuk PG, Kuz'min VE. Existing and developing approaches for QSAR analysis of mixtures. Molecular Informatics 2012;31(3-4):202-221. |
R832720 (2009) (06/14/18) R833825 (Final) (06/14/18) |
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| Journal Article | Muratov EN, Varlamova EV, Artemenko AG, Polishchuk PG, Nikolaeva-Glomb L, Galabov AS, Kuz'min VE. QSAR analysis of poliovirus inhibition by dual combinations of antivirals. Structural Chemistry 2013;24(5):1665-1679. |
R832720 (2009) (06/14/18) R833825 (Final) (06/14/18) |
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| Journal Article | Politi R, Rusyn I, Tropsha A. Prediction of binding affinity and efficacy of thyroid hormone receptor ligands using QSAR and structure-based modeling methods. Toxicology and Applied Pharmacology 2014;280(1):177-189. |
R833825 (Final) (06/14/18) R835166 (2016) (06/18/18) |
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| Journal Article | Sun W, Li L. Multiple loci mapping via model-free variable selection. Biometrics 2012;68(1):12-22. |
R833825 (Final) (06/14/18) |
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| Journal Article | Zhang L, Sedykh A, Tripathi A, Zhu H, Afantitis A, Mouchlis VD, Melagraki G, Rusyn I, Tropsha A. Identification of putative estrogen receptor-mediated endocrine disrupting chemicals using QSAR- and structure-based virtual screening approaches. Toxicology and Applied Pharmacology 2013;272(1):67-76. |
R833825 (Final) (06/14/18) |
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| Journal Article | Zhang X, Huang S, Sun W, Wang W. Rapid and robust resampling-based multiple-testing correction with application in a genome-wide expression quantitative trait loci study. Genetics 2012;190(4):1511-1520. |
R833825 (Final) (06/14/18) |
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| Presentation | Abdo N, Xia M, Kosyk O, Huang R, Sakamuru S, Brown C. The 1000 genomes toxicity screening project: utilizing the power of human genome variation for population-scale in vitro testing. Presented at the Society of Toxicology (SOT) Annual Meeting and ToxExpo, San Antonio, TX, March 10-14, 2013. |
R833825 (Final) (06/14/18) |
not available |
The perspectives, information and conclusions conveyed in research project abstracts, progress reports, final reports, journal abstracts and journal publications convey the viewpoints of the principal investigator and may not represent the views and policies of ORD and EPA. Conclusions drawn by the principal investigators have not been reviewed by the Agency.