Search Results - "YANG, Chihae"

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    Quantitative structure − skin permeability relationships by 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)
    “…Abstract This paper reviews in silico models currently available for the prediction of skin permeability. A comprehensive discussion on the currently available…”
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    Dempster-Shafer theory for combining in silico evidence and estimating uncertainty in chemical risk assessment by Rathman, James F., Yang, Chihae, Zhou, Haojin

    Published in Computational toxicology (01-05-2018)
    “…In safety and risk assessment, various sources of evidence can be used to predict whether a given chemical compound may pose a risk for a particular type of…”
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    Threshold of Toxicological Concern-An Update for Non-Genotoxic Carcinogens by 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)
    “…The Threshold of Toxicological Concern (TTC) concept can be applied to organic compounds with the known chemical structure to derive a threshold for exposure,…”
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    Building Predictive Models for Protein Tyrosine Phosphatase 1B Inhibitors Based on Discriminating Structural Features by Reassembling Medicinal Chemistry Building Blocks by Yang, Chihae, Cross, Kevin, Myatt, Glenn J, Blower, Paul E, Rathman, James F

    Published in Journal of medicinal chemistry (18-11-2004)
    “…A new approach to predicting the biological activity of small molecule pharmaceutics is demonstrated. Structural features of medicinal chemistry building…”
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    Finding Discriminating Structural Features by Reassembling Common Building Blocks by 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)
    “…We present a new method for constructing discriminating substructures by reassembling common medicinal chemistry building blocks. The algorithm can be…”
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    Confocal Microscopy Analysis of Supercritical Fluid Impregnation of Polypropylene by Wang, Yiqing, Yang, Chihae, Tomasko, David

    “…The impregnation of a fluorescent probe [4-(hexadecylamino)-7-nitrobenz-2-oxa-1,3-diazole or NBD] into polypropylene from supercritical carbon dioxide is…”
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    A new paradigm in threshold of toxicological concern based on chemoinformatics analysis of a highly curated database enriched with antimicrobials by Yang, Chihae, Cheeseman, Mitchell, Rathman, James, Mostrag, Aleksandra, Skoulis, Nicholas, Vitcheva, Vessela, Goldberg, Seth

    Published in Food and chemical toxicology (01-09-2020)
    “…A new database of antimicrobial-enriched chemicals for the Threshold of Toxicological Concern (TTC) approach has been compiled, comprising 1357 chemicals with…”
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    A New CSRML Structure-Based Fingerprint Method for Profiling and Categorizing Per- and Polyfluoroalkyl Substances (PFAS) by 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)
    “…The term PFAS encompasses diverse per- and polyfluorinated alkyl (and increasingly aromatic) chemicals spanning industrial processes, commercial uses,…”
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    Comparison of methods for sequential screening of large compound sets by Blower, Paul E, Cross, Kevin P, Eichler, Gabriel S, Myatt, Glenn J, Weinstein, John N, Yang, Chihae

    “…Sequential screening is an iterative procedure that can greatly increase hit rates over random screening or non-iterative procedures. We studied the effects of…”
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    Do Similar Structures Have Similar No Observed Adverse Effect Level (NOAEL) Values? Exploring Chemoinformatics Approaches for Estimating NOAEL Bounds and Uncertainties by Yang, Chihae, Rathman, James F, Magdziarz, Tomasz, Mostrag, Aleksandra, Kulkarni, Sunil, Barton-Maclaren, Tara S

    Published in Chemical research in toxicology (15-02-2021)
    “…Determination of the no observed adverse effect level (NOAEL) of a substance is an important step in safety and regulatory assessments. Application of…”
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