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51

Skin, drug and chemical reactions

Harri Alenius, David W. Roberts, Yoshiki Tokura, Antti Lauerma, Grace Patlewicz, Michael S. Roberts

Journal:

Drug Discovery Today: Disease Mechanisms

Year:

2008

Language:

english

File:

PDF, 1.07 MB

english, 2008

52

A feasibility study developing an integrated testing strategy assessing skin irritation potential of chemicals

Sebastian Hoffmann, Ana Gallegos Saliner, Grace Patlewicz, Chantra Eskes, Valerie Zuang, Andrew P. Worth

Journal:

Toxicology Letters

Year:

2008

Language:

english

File:

PDF, 317 KB

english, 2008

53

Workshop: Use of “read-across” for chemical safety assessment under REACH

Patlewicz, Grace, Roberts, David W., Aptula, Aynur, Blackburn, Karen, Hubesch, Bruno

Journal:

Regulatory Toxicology and Pharmacology

Year:

2013

Language:

english

File:

PDF, 148 KB

english, 2013

54

Mechanistic Applicability Domains for Non-Animal Based Prediction of Toxicological Endpoints. QSAR Analysis of the Schiff Base Applicability Domain for Skin Sensitization

Roberts, David W., Aptula, Aynur O., Patlewicz, Grace

Journal:

Chemical Research in Toxicology

Year:

2006

Language:

english

File:

PDF, 91 KB

english, 2006

55

Electrophilic Chemistry Related to Skin Sensitization. Reaction Mechanistic Applicability Domain Classification for a Published Data Set of 106 Chemicals Tested in the Mouse Local Lymph Node Assay

Roberts, David W., Aptula, Aynur O., Patlewicz, Grace

Journal:

Chemical Research in Toxicology

Year:

2007

Language:

english

File:

PDF, 379 KB

english, 2007

56

Skin Sensitization: Reaction Mechanistic Applicability Domains for Structure−Activity Relationships

Aptula, Aynur O., Patlewicz, Grace, Roberts, David W.

Journal:

Chemical Research in Toxicology

Year:

2005

Language:

english

File:

PDF, 233 KB

english, 2005

57

Investigating the Relationship between in Vitro–in Vivo Genotoxicity: Derivation of Mechanistic QSAR Models for in Vivo Liver Genotoxicity and in Vivo Bone Marrow Micronucleus Formation Which Encompass Metabolism

Mekenyan, Ovanes G., Petkov, Petko I., Kotov, Stefan V., Stoeva, Stoyanka, Kamenska, Verginia B., Dimitrov, Sabcho D., Honma, Masamitsu, Hayashi, Makoto, Benigni, Romualdo, Donner, E. Maria, Patlewicz

Journal:

Chemical Research in Toxicology

Year:

2012

Language:

english

File:

PDF, 2.23 MB

english, 2012

58

Use of category approaches, read-across and (Q)SAR: General considerations

Patlewicz, Grace, Ball, Nicholas, Booth, Ewan D., Hulzebos, Etje, Zvinavashe, Elton, Hennes, Christa

Journal:

Regulatory Toxicology and Pharmacology

Year:

2013

Language:

english

File:

PDF, 401 KB

english, 2013

59

An evaluation of selected global (Q)SARs/expert systems for the prediction of skin sensitisation potential

Patlewicz, G., Aptula, A. O., Uriarte, E., Roberts, D. W., Kern, P. S., Gerberick, G. F., Kimber, I., Dearman, R. J., Ryan, C. A., Basketter, D. A.

Journal:

SAR and QSAR in Environmental Research

Year:

2007

Language:

english

File:

PDF, 245 KB

english, 2007

60

Global (Q)SARs for skin sensitisation–assessment against OECD principles‖

Roberts, D. W., Aptula, A. O., Cronin, M. T. D., Hulzebos, E., Patlewicz, G.

Journal:

SAR and QSAR in Environmental Research

Year:

2007

Language:

english

File:

PDF, 706 KB

english, 2007

61

The challenge of using read-across within the EU REACH regulatory framework; how much uncertainty is too much? Dipropylene glycol methyl ether acetate, an exemplary case study

Ball, Nicholas, Bartels, Michael, Budinsky, Robert, Klapacz, Joanna, Hays, Sean, Kirman, Christopher, Patlewicz, Grace

Journal:

Regulatory Toxicology and Pharmacology

Year:

2014

Language:

english

File:

PDF, 1.06 MB

english, 2014

62

The role of the European Chemicals Bureau in promoting the regulatory use of (Q)SAR methods†

Worth, A. P., Bassan, A., De Bruijn, J., Gallegos Saliner, A., Netzeva, T., Pavan, M., Patlewicz, G., Tsakovska, I., Eisenreich, S.

Journal:

SAR and QSAR in Environmental Research

Year:

2007

Language:

english

File:

PDF, 160 KB

english, 2007

63

Use and validation of HT/HC assays to support 21st century toxicity evaluations

Patlewicz, Grace, Simon, Ted, Goyak, Katy, Phillips, Richard D., Rowlands, J. Craig, Seidel, Shawn D., Becker, Richard A.

Journal:

Regulatory Toxicology and Pharmacology

Year:

2013

Language:

english

File:

PDF, 670 KB

english, 2013

64

Computer-Aided Knowledge Generation for Understanding Skin Sensitization Mechanisms: The TOPS-MODE Approach

Estrada, Ernesto, Patlewicz, Grace, Chamberlain, Mark, Basketter, David, Larbey, Sue

Journal:

Chemical Research in Toxicology

Year:

2003

Language:

english

File:

PDF, 393 KB

english, 2003

65

Towards AOP application – Implementation of an integrated approach to testing and assessment (IATA) into a pipeline tool for skin sensitization

Patlewicz, Grace, Kuseva, Chanita, Kesova, Antonia, Popova, Ioanna, Zhechev, Teodor, Pavlov, Todor, Roberts, David W., Mekenyan, Ovanes

Journal:

Regulatory Toxicology and Pharmacology

Year:

2014

Language:

english

File:

PDF, 2.92 MB

english, 2014

66

TIMES-SS – Recent refinements resulting from an industrial skin sensitisation consortium

Patlewicz, G., Kuseva, C., Mehmed, A., Popova, Y., Dimitrova, G., Ellis, G., Hunziker, R., Kern, P., Low, L., Ringeissen, S., Roberts, D.W., Mekenyan, O.

Journal:

SAR and QSAR in Environmental Research

Year:

2014

Language:

english

File:

PDF, 612 KB

english, 2014

67

From Knowledge Generation to Knowledge Archive. A General Strategy Using TOPS-MODE with DEREK To Formulate New Alerts for Skin Sensitization

Estrada, E., Patlewicz, G., Gutierrez, Y.

Journal:

Journal of Chemical Information and Modeling

Year:

2004

Language:

english

File:

PDF, 441 KB

english, 2004

68

Use of Genotoxicity Information in the Development of Integrated Testing Strategies (ITS) for Skin Sensitization

Mekenyan, Ovanes, Patlewicz, Grace, Dimitrova, Gergana, Kuseva, Chanita, Todorov, Milen, Stoeva, Stoyanka, Kotov, Stefan, Donner, E Maria

Journal:

Chemical Research in Toxicology

Year:

2010

Language:

english

File:

PDF, 1.56 MB

english, 2010

69

Chemistry-Based Risk Assessment for Skin Sensitization: Quantitative Mechanistic Modeling for the S N Ar Domain

Roberts, D. W., Aptula, A. O., Patlewicz, G. Y.

Journal:

Chemical Research in Toxicology

Year:

2011

Language:

english

File:

PDF, 1.15 MB

english, 2011

70

Applying Adverse Outcome Pathways (AOPs) to support Integrated Approaches to Testing and Assessment (IATA)

Tollefsen, Knut Erik, Scholz, Stefan, Cronin, Mark T., Edwards, Stephen W., de Knecht, Joop, Crofton, Kevin, Garcia-Reyero, Natalia, Hartung, Thomas, Worth, Andrew, Patlewicz, Grace

Journal:

Regulatory Toxicology and Pharmacology

Year:

2014

Language:

english

File:

PDF, 1.16 MB

english, 2014

71

A Mechanistic Approach to Modeling Respiratory Sensitization

Mekenyan, Ovanes, Patlewicz, Grace, Kuseva, Chanita, Popova, Ioanna, Mehmed, Aycel, Kotov, Stefan, Zhechev, Teodor, Pavlov, Todor, Temelkov, Stanislav, Roberts, David W.

Journal:

Chemical Research in Toxicology

Year:

2014

Language:

english

File:

PDF, 2.79 MB

english, 2014

72

Integrated testing and assessment approaches for skin sensitization: a commentary

Roberts, David W., Patlewicz, Grace Y.

Journal:

Journal of Applied Toxicology

Year:

2014

Language:

english

File:

PDF, 100 KB

english, 2014

73

Non-testing approaches under REACH – help or hindrance? Perspectives from a practitioner within industry

Patlewicz, G., Chen, M.W., Bellin, C.A.

Journal:

SAR and QSAR in Environmental Research

Year:

2011

Language:

english

File:

PDF, 1.11 MB

english, 2011

74

A feasibility study: Can information collected to classify for mutagenicity be informative in predicting carcinogenicity?

Petkov, Petko I., Patlewicz, Grace, Schultz, Terry W., Honma, Masamitsu, Todorov, Milen, Kotov, Stefan, Dimitrov, Sabcho D., Donner, E. Maria, Mekenyan, Ovanes G.

Journal:

Regulatory Toxicology and Pharmacology

Year:

2015

Language:

english

File:

PDF, 1.18 MB

english, 2015

75

Skin Sensitization: Modeling Based on Skin Metabolism Simulation and Formation of Protein Conjugates

Dimitrov, Sabcho, Low, Lawrence, Patlewicz, Grace, Kern, Petra, Dimitrova, Gergana, I. Comber, Mike, Phillips, Richard, Niemela, Jay, Bailey, Paul, Mekenyan, Ovanes

Journal:

International Journal of Toxicology

Year:

2005

Language:

english

File:

PDF, 2.04 MB

english, 2005

76

Building scientific confidence in the development and evaluation of read-across

Patlewicz, G., Ball, N., Boogaard, P.J., Becker, R.A., Hubesch, B.

Journal:

Regulatory Toxicology and Pharmacology

Year:

2015

Language:

english

File:

PDF, 2.48 MB

english, 2015

77

Proposing a scientific confidence framework to help support the application of adverse outcome pathways for regulatory purposes

Patlewicz, Grace, Simon, Ted W., Rowlands, J. Craig, Budinsky, Robert A., Becker, Richard A.

Journal:

Regulatory Toxicology and Pharmacology

Year:

2015

Language:

english

File:

PDF, 1.38 MB

english, 2015

78

Nonanimal Alternatives for Skin Sensitization: Letter to the Editor

Roberts, D. W., Patlewicz, G. Y.

Journal:

Toxicological Sciences

Year:

2008

Language:

english

File:

PDF, 43 KB

english, 2008

79

Current Topics on Software Use in Medicinal Chemistry: Intellectual Property, Taxes, and Regulatory Issues

Duardo-Sanchez, Aliuska, Patlewicz, Grace, Lopez-Diaz, Antonio

Journal:

Current Topics in Medicinal Chemistry

Year:

2008

Language:

english

File:

PDF, 301 KB

english, 2008

80

The adverse outcome pathway for rodent liver tumor promotion by sustained activation of the aryl hydrocarbon receptor

Becker, Richard A., Patlewicz, Grace, Simon, Ted W., Rowlands, J. Craig, Budinsky, Robert A.

Journal:

Regulatory Toxicology and Pharmacology

Year:

2015

Language:

english

File:

PDF, 1.76 MB

english, 2015

81

Predicting Drugs and Proteins in Parasite Infections with Topological Indices of Complex Networks: Theoretical Backgrounds, Applications and Legal Issues

Gonzalez-Diaz, Humberto, Romaris, Fernanda, Duardo-Sanchez, Aliuska, G. Perez-Montoto, Lazaro, Prado-Prado, Francisco, Patlewicz, Grace, M. Ubeira, Florencio

Journal:

Current Pharmaceutical Design

Year:

2010

Language:

english

File:

PDF, 1.60 MB

english, 2010

82

Current and future perspectives on the development, evaluation and application of in silico approaches for predicting toxicity

Patlewicz, Grace Y., Fitzpatrick, Jeremy

Journal:

Chemical Research in Toxicology

Year:

2015

Language:

english

File:

PDF, 1.14 MB

english, 2015

83

Guidance on assessing the methodological and reporting quality of toxicologically relevant studies: A scoping review

Samuel, Gbeminiyi O., Hoffmann, Sebastian, Wright, Robert A., Lalu, Manoj Mathew, Patlewicz, Grace, Becker, Richard A., DeGeorge, George L., Fergusson, Dean, Hartung, Thomas, Lewis, R. Jeffrey, Stephe

Journal:

Environment International

Year:

2016

Language:

english

File:

PDF, 876 KB

english, 2016

84

Systematically evaluating read-across prediction and performance using a local validity approach characterized by chemical structure and bioactivity information

Shah, Imran, Liu, Jie, Judson, Richard S., Thomas, Russell S., Patlewicz, Grace

Journal:

Regulatory Toxicology and Pharmacology

Year:

2016

Language:

english

File:

PDF, 1.86 MB

english, 2016

85

Computational Methods to Predict Drug Safety

Patlewicz, Grace

Journal:

Current Computer - Aided Drug Design

Year:

2006

Language:

english

File:

PDF, 144 KB

english, 2006

86

What determines skin sensitization potency: Myths, maybes and realities. The 500 molecular weight cut-off: An updated analysis

Fitzpatrick, Jeremy M., Roberts, David W., Patlewicz, Grace

Journal:

Journal of Applied Toxicology

Year:

2016

Language:

english

File:

PDF, 1.18 MB

english, 2016

87

Chemical applicability domain of the Local Lymph Node Assay (LLNA) for skin sensitization potency. Part 1. Underlying physical organic chemistry principles and the extent to which they are represented in the LLNA validation dataset

Roberts, D.W., Api, A.M., Patlewicz, G., Schultz, T.W.

Journal:

Regulatory Toxicology and Pharmacology

Year:

2016

Language:

english

File:

PDF, 1.04 MB

english, 2016

88

Retrospective mining of toxicology data to discover multispecies and chemical class effects: Anemia as a case study

Judson, Richard S., Martin, Matthew T., Patlewicz, Grace, Wood, Charles E.

Journal:

Regulatory Toxicology and Pharmacology

Year:

2017

Language:

english

File:

PDF, 1.71 MB

english, 2017

89

Application of IATA – A case study in evaluating the global and local performance of a Bayesian network model for skin sensitization

Fitzpatrick, J. M., Patlewicz, G.

Journal:

SAR and QSAR in Environmental Research

Year:

2017

Language:

english

File:

PDF, 2.39 MB

english, 2017

90

Non-animal assessment of skin sensitization hazard: Is an integrated testing strategy needed, and if so what should be integrated?

Roberts, David W., Patlewicz, Grace

Journal:

Journal of Applied Toxicology

Year:

2017

Language:

english

File:

PDF, 598 KB

english, 2017

91

Navigating through the minefield of read-across tools: A review of in silico tools for grouping

Patlewicz, Grace, Helman, George, Pradeep, Prachi, Shah, Imran

Journal:

Computational Toxicology

Year:

2017

Language:

english

File:

PDF, 2.76 MB

english, 2017

92

Predicting organ toxicity using in vitro bioactivity data and chemical structure

Liu, Jie, Patlewicz, Grace, Williams, Antony, Thomas, Russell S., Shah, Imran

Journal:

Chemical Research in Toxicology

Year:

2017

Language:

english

File:

PDF, 1.67 MB

english, 2017

93

A systematic evaluation of analogs and automated read-across prediction of estrogenicity: A case study using hindered phenols

Pradeep, Prachi, Mansouri, Kamel, Patlewicz, Grace, Judson, Richard

Journal:

Computational Toxicology

Year:

2017

Language:

english

File:

PDF, 958 KB

english, 2017

94

Alternative approaches for acute inhalation toxicity testing to address global regulatory and non-regulatory data requirements: An international workshop report

Clippinger, Amy J., Allen, David, Jarabek, Annie M., Corvaro, Marco, Gaça, Marianna, Gehen, Sean, Hotchkiss, Jon A., Patlewicz, Grace, Melbourne, Jodie, Hinderliter, Paul, Yoon, Miyoung, Huh, Dan, Low

Journal:

Toxicology in Vitro

Year:

2017

Language:

english

File:

PDF, 5.24 MB

english, 2017

95

An adverse outcome pathway for respiratory sensitization by chemicals: The way forward?

Ezendam, Janine, Cochrane, Stella, Enoch, Steve, Patlewicz, Grace, Roggen, Erwin, Sewald, Katherina, Sullivan, Kristie

Journal:

Toxicology Letters

Year:

2017

Language:

english

File:

PDF, 90 KB

english, 2017

96

Navigating through the minefield of read-across frameworks: A commentary perspective

Patlewicz, Grace, Cronin, Mark T.D., Helman, George, Lambert, Jason C., Lizarraga, Lucina E., Shah, Imran

Journal:

Computational Toxicology

Year:

2018

Language:

english

File:

PDF, 2.01 MB

english, 2018

97

Utilizing Threshold of Toxicological Concern (TTC) with high throughput exposure predictions (HTE) as a risk-based prioritization approach for thousands of chemicals

Patlewicz, Grace, Wambaugh, John F., Felter, Susan P., Simon, Ted W., Becker, Richard A.

Journal:

Computational Toxicology

Year:

2018

File:

PDF, 668 KB

2018

98

A Mechanistic Framework for Integrating Chemical Structure and High-Throughput Screening Results to Improve Toxicity Predictions

Nelms, Mark D., Mellor, Claire L., Enoch, Steven J., Judson, Richard S., Patlewicz, Grace, Richard, Ann M., Madden, Judith M., Cronin, Mark T.D., Edwards, Stephen W.

Journal:

Computational Toxicology

Year:

2018

File:

PDF, 1.52 MB

2018

99

Utilizing Threshold of Toxicological Concern (TTC) with high throughput exposure predictions (HTE) as a risk-based prioritization approach for thousands of chemicals

Patlewicz, Grace, Wambaugh, John F., Felter, Susan P., Simon, Ted W., Becker, Richard A.

Journal:

Computational Toxicology

Year:

2018

Language:

english

File:

PDF, 668 KB

english, 2018

100

Predictive Models for Acute Oral Systemic Toxicity: A Workshop to Bridge the Gap from Research to Regulation

Kleinstreuer, Nicole C, Karmaus, Agnes, Mansouri, Kamel, Allen, David G, Fitzpatrick, Jeremy M, Patlewicz, Grace

Journal:

Computational Toxicology

Year:

2018

Language:

english

File:

PDF, 945 KB

english, 2018