Application of the Virtual Cell Based Assay for Simulation of in vitro Chemical fate following Acute Exposure

[1]  Roman Ashauer,et al.  Measured and Modeled Toxicokinetics in Cultured Fish Cells and Application to In Vitro - In Vivo Toxicity Extrapolation , 2014, PloS one.

[2]  N. Kramer,et al.  Measuring, modeling, and increasing the free Concentration of test Chemicals in cell assays , 2010 .

[3]  Richard A. Cox,et al.  Compilation and evaluation of gas phase diffusion coefficients of reactive trace gases in the atmosphere: volume 1. Inorganic compounds , 2014 .

[4]  Hugh A Barton,et al.  Computational Modeling of Serum‐Binding Proteins and Clearance in Extrapolations Across Life Stages and Species for Endocrine Active Compounds , 2004, Risk analysis : an official publication of the Society for Risk Analysis.

[5]  Greenpeace International comments to the Commission White Paper : Strategy for a future Chemicals Policy , 2022 .

[6]  B J Blaauboer,et al.  An alternative approach for the safety evaluation of new and existing chemicals, an exercise in integrated testing. , 2005, Regulatory toxicology and pharmacology : RTP.

[7]  Guidance Document on Aquatic Toxicity Testing of Difficult Substances and Mixtures , 2019, OECD Series on Testing and Assessment.

[8]  Daniel T. Chang,et al.  Developing a Physiologically-Based Pharmacokinetic Model Knowledgebase in Support of Provisional Model Construction , 2016, PLoS Comput. Biol..

[9]  K. Schirmer.  Proposal to improve vertebrate cell cultures to establish them as substitutes for the regulatory testing of chemicals and effluents using fish. , 2006, Toxicology.

[10]  Bas J Blaauboer,et al.  The use of in vitro toxicity data and physiologically based kinetic modeling to predict dose-response curves for in vivo developmental toxicity of glycol ethers in rat and man. , 2010, Toxicological sciences : an official journal of the Society of Toxicology.

[11]  Bouhifd Mounir,et al.  A biology-based dynamic approach for the modelling of toxicity in cell assays.Part II: Models for cell population growth and toxicity , 2011 .

[12]  S. Crawford,et al.  Volume 1 , 2012, Journal of Diabetes Investigation.

[13]  J. Giddings,et al.  NEW METHOD FOR PREDICTION OF BINARY GAS-PHASE DIFFUSION COEFFICIENTS , 1966 .

[14]  M. Huijbregts,et al.  Compound lipophilicity as a descriptor to predict binding affinity (1/K(m)) in mammals. , 2012, Environmental science & technology.

[15]  George Loizou,et al.  Toxicokinetics as a key to the integrated toxicity risk assessment based primarily on non-animal approaches. , 2013, Toxicology in vitro : an international journal published in association with BIBRA.

[16]  A Worth,et al.  In vitro-to-in vivo correlation of the skin penetration, liver clearance and hepatotoxicity of caffeine. , 2015, Food and chemical toxicology : an international journal published for the British Industrial Biological Research Association.

[17]  Beate I Escher,et al.  Modeling Exposure in the Tox21 in Vitro Bioassays. , 2017, Chemical research in toxicology.

[18]  Ivan Rusyn,et al.  In vitro models for liver toxicity testing. , 2013, Toxicology research.

[19]  M E Andersen,et al.  Physiologically based pharmacokinetics and cancer risk assessment. , 1994, Environmental health perspectives.

[20]  Michiel T O Jonker,et al.  Bioconcentration factor hydrophobicity cutoff: an artificial phenomenon reconstructed. , 2007, Environmental science & technology.

[21]  Ans Punt,et al.  Tutorial on physiologically based kinetic modeling in molecular nutrition and food research. , 2011, Molecular nutrition & food research.

[22]  S. O. Mueller,et al.  Biokinetics of chlorpromazine in primary rat and human hepatocytes and human HepaRG cells after repeated exposure. , 2015, Toxicology in vitro : an international journal published in association with BIBRA.

[23]  Dock Bumpers,et al.  Volume 2 , 2005, Proceedings of the Ninth International Conference on Computer Supported Cooperative Work in Design, 2005..

[24]  Emanuela Testai,et al.  Understanding the biokinetics of ibuprofen after single and repeated treatments in rat and human in vitro liver cell systems. , 2015, Toxicology letters.

[25]  Roman Ashauer,et al.  Toxicology across scales: Cell population growth in vitro predicts reduced fish growth , 2015, Science Advances.

[26]  J B Houston,et al.  An Integrated Approach to the Prediction of Systemic Toxicity using Computer-based Biokinetic Models and Biological In vitro Test Methods: Overview of a Prevalidation Study Based on the ECITTS Project. , 1999, Toxicology in vitro : an international journal published in association with BIBRA.

[27]  A Kopp-Schneider,et al.  The value of selected in vitro and in silico methods to predict acute oral toxicity in a regulatory context: results from the European Project ACuteTox. , 2013, Toxicology in vitro : an international journal published in association with BIBRA.

[28]  R. Schwarzenbach,et al.  Linear free energy relationships used to evaluate equilibrium partitioning of organic compounds. , 2001, Environmental science & technology.

[29]  Jon A Arnot,et al.  Application of mass balance models and the chemical activity concept to facilitate the use of in vitro toxicity data for risk assessment. , 2014, Environmental science & technology.

[30]  T. T. Hulscher,et al.  Temperature dependence of henry's law constants for selected chlorobenzenes, polychlorinated biphenyls and polycyclic aromatic hydrocarbons , 1992 .

[31]  Jochem Louisse,et al.  Use of Physiologically Based Kinetic Modeling-Based Reverse Dosimetry to Predict in Vivo Toxicity from in Vitro Data. , 2017, Chemical research in toxicology.

[32]  Bas J Blaauboer,et al.  Dose metric considerations in in vitro assays to improve quantitative in vitro-in vivo dose extrapolations. , 2015, Toxicology.

[33]  Strategy for a future Chemicals Policy , 2001 .

[34]  Bas J Blaauboer,et al.  Quantifying processes determining the free concentration of phenanthrene in Basal cytotoxicity assays. , 2012, Chemical research in toxicology.

[35]  H Seibert,et al.  Factors influencing nominal effective concentrations of chemical compounds in vitro: cell concentration. , 2001, Toxicology in vitro : an international journal published in association with BIBRA.

[36]  D. Grainger,et al.  A critical evaluation of in vitro cell culture models for high-throughput drug screening and toxicity. , 2012, Pharmacology & therapeutics.

[37]  H Seibert,et al.  Factors influencing nominal effective concentrations of chemical compounds in vitro: medium protein concentration. , 2002, Toxicology in vitro : an international journal published in association with BIBRA.

[38]  J. Giddings,et al.  Diffusion of halogenated hydrocarbons in helium. The effect of structure on collision cross sections , 1969 .

[39]  A M Richard,et al.  An automated curation procedure for addressing chemical errors and inconsistencies in public datasets used in QSAR modelling$ , 2016, SAR and QSAR in environmental research.

[40]  Björn Ekwall,et al.  SCREENING OF TOXIC COMPOUNDS IN MAMMALIAN CELL CULTURES , 1983, Annals of the New York Academy of Sciences.

[41]  Bouhifd Mounir,et al.  A biology-based dynamic approach for the modelling of toxicity in cell-based assays. Part I: Fate modelling , 2010 .

[42]  R. A. Cox,et al.  Compilation and evaluation of gas phase diffusion coefficients of reactive trace gases in the atmosphere: Volume 2. Diffusivities of organic compounds, pressure-normalised mean free paths, and average Knudsen numbers for gas uptake calculations , 2015 .

[43]  A. Worth,et al.  Theoretical and mathematical foundation of the Virtual Cell Based Assay - A review. , 2017, Toxicology in vitro : an international journal published in association with BIBRA.

[44]  Bas J Blaauboer,et al.  The use of biomarkers of toxicity for integrating in vitro hazard estimates into risk assessment for humans. , 2012, ALTEX.

[45]  Halder Maria Elisabeth,et al.  EURL ECVAM Strategy to replace, reduce and refine the use of fish in aquatic toxicity and bioaccumulation testing , 2014 .

[46]  Adrian M H deBruyn,et al.  The sorptive capacity of animal protein , 2007, Environmental toxicology and chemistry.

[47]  Hasso Seibert,et al.  Impact of bioavailability on the correlation between in vitro cytotoxic and in vivo acute fish toxic concentrations of chemicals. , 2005, Aquatic toxicology.

[48]  Minne B Heringa,et al.  Toward more useful in vitro toxicity data with measured free concentrations. , 2004, Environmental science & technology.

[49]  S. Balaz,et al.  Modeling Kinetics of Subcellular Disposition of Chemicals , 2009, Chemical reviews.