Grantee Research Project Results
Journal Publications Details for Grant Number R835166
Carolina Center for Computational Toxicology: Assays, models and tools for NextGen safety assessments
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| Reference Type | Citation | Progress Report Year | Document Sources |
|---|---|---|---|
| Journal Article | Abdo N, Wetmore BA, Chappell GA, Shea D, Wright FA, Rusyn I. In vitro screening for population variability in toxicity of pesticide-containing mixtures. Environment International 2015;85:147-155. |
R835166 (2015) R835166 (2016) R835166 (Final) |
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| Journal Article | Abdo N, Xia M, Brown CC, Kosyk O, Huang R, Sakamuru S, Zhou YH, Jack JR, Gallins P, Xia K, Li Y, Chiu WA, Motsinger-Reif AA, Austin CP, Tice RR, Rusyn I, Wright FA. Population-based in vitro hazard and concentration-response assessment of chemicals: the 1000 genomes high-throughput screening study. Environmental Health Perspectives 2015;123(5):458-466. |
R835166 (2014) R835166 (2015) R835166 (2016) R835166 (Final) |
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| Journal Article | Alexander DL, Tropsha A, Winkler DA. Beware of R2: simple, unambiguous assessment of the prediction accuracy of QSAR and QSPR models. Journal of Chemical Information and Modeling 2015 Jul 27;55(7):1316-1322. |
R835166 (Final) |
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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 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) R835166 (Final) |
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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) R835166 (Final) |
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| Journal Article | Alves V, Muratov E, Capuzzi S, Politi R, Low Y, Braga R, Zakharov AV, Sedykh A, Mokshyna E, Farag S, Andrade C, Kuz'min V, Fourches D, Tropsha A. Alarms about structural alerts. Green Chemistry 2016;18(16):4348-4360. |
R835166 (Final) |
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| Journal Article | 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, Schuurmann G, White A, Burton J, Lostia AM, Munn S, Worth A. Chemical safety assessment using read-across: assessing the use of novel testing methods to strengthen the evidence base for decision making. Environmental Health Perspectives 2015;123(12):1232-1240. |
R835166 (2015) R835166 (2016) R835166 (Final) |
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| Journal Article | Chappell G, Pogribny IP, Guyton KZ, Rusyn I. Epigenetic alterations induced by genotoxic occupational and environmental human chemical carcinogens: a systematic literature review. Mutation Research. Reviews in Mutation Research 2016;768:27-45. |
R835166 (Final) |
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| Journal Article | Chiu WA, Wright FA, Rusyn I. A tiered, Bayesian approach to estimating population variability for regulatory decision-making. ALTEX 2017;34(3):377-388. |
R835166 (2016) R835166 (Final) R835802 (2016) R835802 (2017) R835802 (2018) |
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| Journal Article | Cote I, Andersen ME, Ankley GT, Barone S, Birnbaum LS, Boekelheide K, Bois FY, Burgoon LD, Chiu WA, Crawford-Brown D, Crofton KM, DeVito M, Devlin RB, Edwards SW, Guyton KZ, Hattis D, Judson RS, Knight D, Krewski D, Lambert J, Maull EA, Mendrick D, Paoli GM, Patel CJ, Perkins EJ, Poje G, Portier CJ, Rusyn I, Schulte PA, Simeonov A, Smith MT, Thayer KA, Thomas RS, Thomas R, Tice RR, Vandenberg JJ, Villeneuve DL, Wesselkamper S, Whelan M, Whittaker C, White R, Xia M, Yauk C, Zeise L, Zhao J, DeWoskin RS. The next generation of risk assessment multi-year study--highlights of findings, applications to risk assessment, and future directions. Environmental Health Perspectives 2016;124(11):1671-1682. |
R835166 (Final) R835802 (2015) R835802 (2016) R835802 (2017) R835802 (2018) R835802C001 (2015) |
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| Journal Article | Eduati F, Mangravite LM, Wang T, Tang H, Bare JC, Huang R, Norman T, Kellen M, Menden MP, Yang J, Zhan X, Zhong R, Xiao G, Xia M, Abdo N, Kosyk O, NIEHS-NCATS-UNC DREAM Toxicogenetics Collaboration, Friend S, Dearry A, Simeonov A, Tice RR, Rusyn I, Wright FA, Stolovitzky G, Xie Y, Saez-Rodriguez J. Prediction of human population responses to toxic compounds by a collaborative competition. Nature Biotechnology 2015;33(9):933-940. |
R835166 (2015) R835166 (2016) R835166 (Final) |
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| Journal Article | Fourches D, Tropsha A. Using graph indices for the analysis. Using graph indices for the analysis and comparison of chemial datasets. Molecular Informatics 2013;32(9-10):827-842. |
R835166 (Final) |
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| Journal Article | Fourches D, Muratov E, Tropsha A. Curation of chemogenomics data. Nature Chemical Biology 2015;11(8):535. |
R835166 (Final) |
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| Journal Article | Fourches D, Muratov E, Tropsha A. Trust, but verify II: a practical guide to chemogenomics data curation. Journal of Chemical Information and Modeling 2016;56(7):1243-1252. |
R835166 (Final) |
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| Journal Article | Grimm FA, Iwata Y, Sirenko O, Chappell GA, Wright FA, Reif DM, Braisted J, Gerhold DL, Yeakley JM, Shepard P, Seligmann B, Roy T, Boogaard PJ, Ketelslegers HB, Rohde AM, Rusyn I. A chemical-biological similarity-based grouping of complex substances as a prototype approach for evaluating chemical alternatives. Green Chemistry 2016;18(16):4407-4419. |
R835166 (Final) R835802 (2015) R835802 (2016) R835802 (2017) R835802 (2018) R835802C001 (2015) |
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| Journal Article | Grimm FA, Russell WK, Luo YS, Iwata Y, Chiu WA, Roy T, Boogaard PJ, Ketelslegers HB, Rusyn I. Grouping of petroleum substances as example UVCBs by ion mobility-mass spectrometry to enable chemical composition-based read-across. Environmental Science and Technology 2017;51(12):7197-7207. |
R835166 (Final) |
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| Journal Article | Grimm FA, House JS, Wilson MR, Sirenko O, Iwata Y, Wright FA, Ball N, Rusyn I. Multi-Dimensional in Vitro Bioactivity Profiling for Grouping of Glycol Ethers. Regulatory Toxicology and Pharmacology 2019;101:91-102. |
R835166 (Final) R835802 (2018) R835802C001 (2018) |
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| Journal Article | Iwata Y, Klaren WD, Lebakken CS, Grimm FA, Rusyn I. High-content assay multiplexing for vascular toxicity screening in induced pluripotent stem cell-derived endothelial cells and human umbilical vein endothelial cells. Assay and Drug Development Technologies 2017;15(6):267-279. |
R835166 (Final) R835802 (2017) R835802 (2018) |
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| Journal Article | Kushman ME, Kraft AD, Guyton KZ, Chiu WA, Makris SL, Rusyn I. A systematic approach for identifying and presenting mechanistic evidence in human health assessments. Regulatory Toxicology and Pharmacology 2013;67(2):266-277. |
R835166 (Final) |
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| Journal Article | Linkov I, Massey O, Keisler J, Rusyn I, Hartung T. From "weight of evidence" to quantitative data integration using multicriteria decision analysis and Bayesian methods. ALTEX 2015;32(1):3-8. |
R835166 (Final) |
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| Journal Article | 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. Quantitative high-throughput screening for chemical toxicity in a population-based in vitro model. Toxicological Sciences 2012;126(2):578-588. |
R833825 (Final) R835166 (Final) |
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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) R833825 (Final) R834999 (Final) R835166 (2014) R835166 (2016) R835166 (Final) |
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| Journal Article | Low Y, Sedykh A, Fourches D, Golbraikh A, Whelan M, Rusyn I, Tropsha A. Integrative chemical-biological read-across approach for chemical hazard classification. Chemical Research in Toxicology 2013;26(8):1199-1208. |
R834999 (Final) R835166 (2013) R835166 (2016) R835166 (Final) |
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| Journal Article | Lu E, Grimm F, Rusyn I, De Saeger S, De Bouvre M, Chiu W. Advancing probabilistic risk assessment by integrating human biomonitoring, new approach methods, and Bayesian modeling:A case study with the mycotoxin deoxynivalenol. ENVIRONMENT INTERNATIONAL 2023;182(108326). |
R835166 (Final) R835802 (Final) |
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| Journal Article | Lu E, Ford L, Chen Z, Burnett S, Rusyn I, Chiu W. Evaluating scientific confidence in the concordance of in vitro and in vivo protective points of departure. REGULATORY TOXICOLOGY AND PHARMACOLOGY 2024;148(105596) |
R835166 (Final) |
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| Journal Article | Mansouri K, Abdelaziz A, Rybacka A, Roncaglioni A, Tropsha A, Varnek A, Zakharov A, Worth A, Richard AM, Grulke CM, Trisciuzzi D, Fourches D, Horvath D, Benfenati E, Muratov E, Wedebye EB, Grisoni F, Mangiatordi GF, Incisivo GM, Hong H, Ng HW, Tetko IV, Balabin I, Kancherla J, Shen J, Burton J, Nicklaus M, Cassotti M, Nikolov NG, Nicolotti O, Andersson PL, Zang Q, Politi R, Beger RD, Todeschini R, Huang R, Farag S, Rosenberg SA, Slavov S, Hu X, Judson RS. CERAPP: Collaborative Estrogen Receptor Activity Prediction Project. Environmental Health Perspectives 2016;124(7):1023-1033. |
R835166 (2015) R835166 (2016) R835166 (Final) |
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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) R835166 (2014) R835166 (2016) R835166 (Final) |
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| Journal Article | Reif DM, Sypa M, Lock EF, Wright FA, Wilson A, Cathey T, Judson RR, Rusyn I. ToxPi GUI: an interactive visualization tool for transparent integration of data from diverse sources of evidence. Bioinformatics 2013;29(3):402-403. |
R835166 (Final) |
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| Journal Article | Rusyn I, Sedykh A, Low Y, Guyton KZ, Tropsha A. Predictive modeling of chemical hazard by integrating numerical descriptors of chemical structures and short-term toxicity assay data. Toxicological Sciences 2012;127(1):1-9. |
R833825 (Final) R835166 (Final) |
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| Journal Article | Rusyn I, Lemon SM. Mechanisms of HCV-induced liver cancer: what did we learn from in vitro and animal studies? Cancer Letters 2014;345(2):210-215. |
R835166 (2014) R835166 (2016) |
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| Journal Article | Sirenko O, Cromwell EF, Crittenden C, Wignall JA, Wright FA, Rusyn I. Assessment of beating parameters in human induced pluripotent stem cells enables quantitative in vitro screening for cardiotoxicity. Toxicology and Applied Pharmacology 2013;273(3):500-507. |
R835166 (2013) R835166 (2014) R835166 (2016) R835166 (Final) |
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| Journal Article | Sirenko O, Crittenden C, Callamaras N, Hesley J, Chen YW, Funes C, Rusyn I, Anson B, Cromwell EF. Multiparameter in vitro assessment of compound effects on cardiomyocyte physiology using iPSC cells. Journal of Biomolecular Screening 2013;18(1):39-53. |
R835166 (2013) R835166 (2016) R835166 (Final) |
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| Journal Article | Sirenko O, Hesley J, Rusyn I, Cromwell EF. High-content assays for hepatotoxicity using induced pluripotent stem cell-derived cells. Assay and Drug Development Technologies 2014;12(1):43-54. |
R835166 (2013) R835166 (2014) R835166 (2016) R835166 (Final) |
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| Journal Article | Sirenko O, Hesley J, Rusyn I, Cromwell E. High-content high-throughput assays for characterizing the viability and morphology of human iPSC-derived neuronal cultures. Assay and Drug Development Technologies 2014;12(9-10):536-547. |
R835166 (2014) R835166 (2016) R835166 (Final) |
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| Journal Article | Sirenko O, Grimm FA, Ryan KR, Iwata Y, Chiu WA, Parham F, Wignall JA, Anson B, Cromwell EF, Behl M, Rusyn I, Tice RR. In vitro cardiotoxicity assessment of environmental chemicals using an organotypic human induced pluripotent stem cell-derived model. Toxicology and Applied Pharmacology 2017;322:60-74. |
R835166 (Final) R835802 (2016) R835802 (2017) R835802 (2018) |
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| Journal Article | Smith MT, Guyton KZ, Gibbons CF, Fritz JM, Portier CJ, Rusyn I, DeMarini DM, Caldwell JC, Kavlock RJ, Lambert PF, Hecht SS, Bucher JR, Stewart BW, Baan RA, Cogliano VJ, Straif K. Key characteristics of carcinogens as a basis for organizing data on mechanisms of carcinogenesis. Environmental Health Perspectives 2016;124(6):713-721. |
R835166 (Final) |
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| Journal Article | Wambaugh JF, Wetmore BA, Pearce R, Strope C, Goldsmith R, Sluka JP, Sedykh A, Tropsha A, Bosgra S, Shah I, Judson R, Thomas RS, Setzer RW. Toxicokinetic triage for environmental chemicals. Toxicological Sciences 2015;147(1):55-67. |
R835001 (Final) R835166 (2015) R835166 (2016) R835166 (Final) |
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| Journal Article | Wignall JA, Shapiro AJ, Wright FA, Woodruff TJ, Chiu WA, Guyton KZ, Rusyn I. Standardizing benchmark dose calculations to improve science-based decisions in human health assessments. Environmental Health Perspectives 2014;122(5):499-505. |
R835166 (2013) R835166 (2014) R835166 (2016) R835166 (Final) |
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| Journal Article | Wright FA, Shabalin AA, Rusyn I. Computational tools for discovery and interpretation of expression quantitative trait loci. Pharmacogenomics 2012;13(3):343-352. |
R833825 (Final) R835166 (Final) |
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| Journal Article | Zeise L, Bois FY, Chiu WA, Hattis D, Rusyn I, Guyton KZ. Addressing human variability in next-generation human health risk assessments of environmental chemicals. Environmental Health Perspectives 2013;121(1):23-31. |
R835166 (Final) |
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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) R835166 (2013) R835166 (Final) |
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.