New Publicly Available Chemical Query Language, CSRML, To Support Chemotype Representations for Application to Data Mining and Modeling
Yang, Chihae, Tarkhov, Aleksey, Marusczyk, Jörg, Bienfait, Bruno, Gasteiger, Johann, Kleinoeder, Thomas, Magdziarz, Tomasz, Sacher, Oliver, Schwab, Christof H, Schwoebel, Johannes, Terfloth, Lothar, Arvidson, Kirk, Richard, Ann, Worth, Andrew, Rathman, James
Published in Journal of chemical information and modeling (23.03.2015)
Published in Journal of chemical information and modeling (23.03.2015)
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Journal Article
Quantitative structure − skin permeability relationships
Tsakovska, Ivanka, Pajeva, Ilza, Al Sharif, Merilin, Alov, Petko, Fioravanzo, Elena, Kovarich, Simona, Worth, Andrew P, Richarz, Andrea-Nicole, Yang, Chihae, Mostrag-Szlichtyng, Aleksandra, Cronin, Mark T.D
Published in Toxicology (Amsterdam) (15.07.2017)
Published in Toxicology (Amsterdam) (15.07.2017)
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Journal Article
Editorial: Advances and Refinements in the Development and Application of Threshold of Toxicological Concern
Patlewicz, Grace, Worth, Andrew, Yang, Chihae, Zhu, Tingting
Published in Frontiers in toxicology (28.04.2022)
Published in Frontiers in toxicology (28.04.2022)
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Journal Article
Current status of methods for defining the applicability domain of (quantitative) structure-activity relationships
Netzeva, T.I, Worth, A.P, Aldenberg, T, Benigni, R, Cronin, M.T.D, Gramatica, P, Jaworska, J.S, Kahn, S, Klopman, G, Marchant, C.A
Published in Alternatives to laboratory animals (2005)
Published in Alternatives to laboratory animals (2005)
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Journal Article
Threshold of Toxicological Concern-An Update for Non-Genotoxic Carcinogens
Batke, Monika, Afrapoli, Fatemeh Moradi, Kellner, Rupert, Rathman, James F, Yang, Chihae, Cronin, Mark T D, Escher, Sylvia E
Published in Frontiers in toxicology (24.06.2021)
Published in Frontiers in toxicology (24.06.2021)
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Journal Article
The role of a molecular informatics platform to support next generation risk assessment
Yang, Chihae, Rathman, James F, Bienfait, Bruno, Burbank, Matthew, Detroyer, Ann, Enoch, Steven J., Firman, James W., Gutsell, Steve, Hewitt, Nicola J., Hobocienski, Bryan, Kenna, Gerry, Madden, Judith C., Magdziarz, Tomasz, Marusczyk, Jörg, Mostrag-Szlichtyng, Aleksandra, Krueger, Christopher-Tilman, Lester, Cathy, Mahoney, Catherine, Najjar, Abdulkarim, Ouedraogo, Gladys, Przybylak, Katarzyna R., Ribeiro, J. Vinicius, Cronin, Mark T.D.
Published in Computational toxicology (01.05.2023)
Published in Computational toxicology (01.05.2023)
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Combined Use of MC4PC, MDL-QSAR, BioEpisteme, Leadscope PDM, and Derek for Windows Software to Achieve High-Performance, High-Confidence, Mode of Action-Based Predictions of Chemical Carcinogenesis in Rodents
Matthews, Edwin J., Kruhlak, Naomi L., Benz, R. Daniel, Contrera, Joseph F., Marchant, Carol A., Yang, Chihae
Published in Toxicology mechanisms and methods (01.01.2008)
Published in Toxicology mechanisms and methods (01.01.2008)
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Journal Article
Building Predictive Models for Protein Tyrosine Phosphatase 1B Inhibitors Based on Discriminating Structural Features by Reassembling Medicinal Chemistry Building Blocks
Yang, Chihae, Cross, Kevin, Myatt, Glenn J, Blower, Paul E, Rathman, James F
Published in Journal of medicinal chemistry (18.11.2004)
Published in Journal of medicinal chemistry (18.11.2004)
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Journal Article
Finding Discriminating Structural Features by Reassembling Common Building Blocks
Cross, Kevin P, Myatt, Glenn, Yang, Chihae, Fligner, Michael A, Verducci, Joseph S, Blower, Paul E
Published in Journal of medicinal chemistry (23.10.2003)
Published in Journal of medicinal chemistry (23.10.2003)
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Journal Article
Confocal Microscopy Analysis of Supercritical Fluid Impregnation of Polypropylene
Wang, Yiqing, Yang, Chihae, Tomasko, David
Published in Industrial & engineering chemistry research (03.04.2002)
Published in Industrial & engineering chemistry research (03.04.2002)
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Journal Article
ToxCast Chemical Landscape: Paving the Road to 21st Century Toxicology
Richard, Ann M, Judson, Richard S, Houck, Keith A, Grulke, Christopher M, Volarath, Patra, Thillainadarajah, Inthirany, Yang, Chihae, Rathman, James, Martin, Matthew T, Wambaugh, John F, Knudsen, Thomas B, Kancherla, Jayaram, Mansouri, Kamel, Patlewicz, Grace, Williams, Antony J, Little, Stephen B, Crofton, Kevin M, Thomas, Russell S
Published in Chemical research in toxicology (15.08.2016)
Published in Chemical research in toxicology (15.08.2016)
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Journal Article
A new paradigm in threshold of toxicological concern based on chemoinformatics analysis of a highly curated database enriched with antimicrobials
Yang, Chihae, Cheeseman, Mitchell, Rathman, James, Mostrag, Aleksandra, Skoulis, Nicholas, Vitcheva, Vessela, Goldberg, Seth
Published in Food and chemical toxicology (01.09.2020)
Published in Food and chemical toxicology (01.09.2020)
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Journal Article
The Tox21 10K Compound Library: Collaborative Chemistry Advancing Toxicology
Richard, Ann M, Huang, Ruili, Waidyanatha, Suramya, Shinn, Paul, Collins, Bradley J, Thillainadarajah, Inthirany, Grulke, Christopher M, Williams, Antony J, Lougee, Ryan R, Judson, Richard S, Houck, Keith A, Shobair, Mahmoud, Yang, Chihae, Rathman, James F, Yasgar, Adam, Fitzpatrick, Suzanne C, Simeonov, Anton, Thomas, Russell S, Crofton, Kevin M, Paules, Richard S, Bucher, John R, Austin, Christopher P, Kavlock, Robert J, Tice, Raymond R
Published in Chemical research in toxicology (15.02.2021)
Published in Chemical research in toxicology (15.02.2021)
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Journal Article
A New CSRML Structure-Based Fingerprint Method for Profiling and Categorizing Per- and Polyfluoroalkyl Substances (PFAS)
Richard, Ann M., Lougee, Ryan, Adams, Matthew, Hidle, Hannah, Yang, Chihae, Rathman, James, Magdziarz, Tomasz, Bienfait, Bruno, Williams, Antony J., Patlewicz, Grace
Published in Chemical research in toxicology (20.03.2023)
Published in Chemical research in toxicology (20.03.2023)
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Journal Article
High Throughput Read-Across for Screening a Large Inventory of Related Structures by Balancing Artificial Intelligence/Machine Learning and Human Knowledge
Yang, Chihae, Rathman, James F., Mostrag, Aleksandra, Ribeiro, João Vinícius, Hobocienski, Bryan, Magdziarz, Tomasz, Kulkarni, Sunil, Barton-Maclaren, Tara
Published in Chemical research in toxicology (17.07.2023)
Published in Chemical research in toxicology (17.07.2023)
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Journal Article
Thresholds of Toxicological Concern for cosmetics-related substances: New database, thresholds, and enrichment of chemical space
Yang, Chihae, Barlow, Susan M., Muldoon Jacobs, Kristi L., Vitcheva, Vessela, Boobis, Alan R., Felter, Susan P., Arvidson, Kirk B., Keller, Detlef, Cronin, Mark T.D., Enoch, Steven, Worth, Andrew, Hollnagel, Heli M.
Published in Food and chemical toxicology (01.11.2017)
Published in Food and chemical toxicology (01.11.2017)
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Journal Article
Safer chemicals using less animals: kick-off of the European ONTOX project
Vinken, Mathieu, Benfenati, Emilio, Busquet, François, Castell, José, Clevert, Djork-Arné, de Kok, Theo M., Dirven, Hubert, Fritsche, Ellen, Geris, Liesbet, Gozalbes, Rafael, Hartung, Thomas, Jennen, Danyel, Jover, Ramiro, Kandarova, Helena, Kramer, Nynke, Krul, Cyrille, Luechtefeld, Thomas, Masereeuw, Rosalinde, Roggen, Erwin, Schaller, Stephan, Vanhaecke, Tamara, Yang, Chihae, Piersma, Aldert H.
Published in Toxicology (Amsterdam) (30.06.2021)
Published in Toxicology (Amsterdam) (30.06.2021)
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Web Resource
Do Similar Structures Have Similar No Observed Adverse Effect Level (NOAEL) Values? Exploring Chemoinformatics Approaches for Estimating NOAEL Bounds and Uncertainties
Yang, Chihae, Rathman, James F, Magdziarz, Tomasz, Mostrag, Aleksandra, Kulkarni, Sunil, Barton-Maclaren, Tara S
Published in Chemical research in toxicology (15.02.2021)
Published in Chemical research in toxicology (15.02.2021)
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