All Stories

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

    Article • Computational Toxicology, May 2018, Elsevier

    Dr Grace Patlewicz

  2. An evaluation of selected (Q)SARs/expert systems for predicting skin sensitisation potential

    Article • SAR and QSAR in Environmental Research, April 2018, Taylor & Francis

    Dr Grace Patlewicz

  3. The CompTox Chemistry Dashboard: a community data resource for environmental chemistry

    Article • Journal of Cheminformatics, November 2017, Springer Science + Business Media

    Dr Antony John Williams, Andrew D McEachran, Dr John Fredrick Wambaugh, Dr kamel mansouri, Dr Grace Patlewicz

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

    Article • Computational Toxicology, November 2017, Elsevier

    Dr. Prachi Pradeep, Dr kamel mansouri, Dr Grace Patlewicz

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

    Article • Toxicology Letters, October 2017, Elsevier

    Dr Grace Patlewicz, Dr. Erwin L J Roggen

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

    Article • Computational Toxicology, August 2017, Elsevier

    Dr. Prachi Pradeep, Dr Grace Patlewicz

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

    Article • Journal of Applied Toxicology, May 2017, Wiley

    Dr Grace Patlewicz

  8. Can currently available non-animal methods detect pre and pro-haptens relevant for skin sensitization?

    Article • Regulatory Toxicology and Pharmacology, December 2016, Elsevier

    Dr Grace Patlewicz

  9. Is skin penetration a determining factor in skin sensitization potential and potency? Refuting the notion of a LogKow threshold for skin sensitization

    Article • Journal of Applied Toxicology, June 2016, Wiley

    Dr Grace Patlewicz

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

    Article • Journal of Applied Toxicology, June 2016, Wiley

    Dr Grace Patlewicz

  11. Current and Future Perspectives on the Development, Evaluation, and Application ofin SilicoApproaches for Predicting Toxicity

    Article • Chemical Research in Toxicology, April 2016, American Chemical Society (ACS)

    Dr Grace Patlewicz

  12. Integrated Approaches to Testing and Assessment

    Article • January 2016, Springer Science + Business Media

    Dr Grace Patlewicz

  13. Validation of Computational Methods

    Article • January 2016, Springer Science + Business Media

    Dr Grace Patlewicz

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

    Article • Regulatory Toxicology and Pharmacology, October 2015, Elsevier

    Dr Grace Patlewicz

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

    Article • Regulatory Toxicology and Pharmacology, June 2015, Elsevier

    Dr Grace Patlewicz

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

    Article • Regulatory Toxicology and Pharmacology, June 2015, Elsevier

    Dr Grace Patlewicz

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

    Article • Regulatory Toxicology and Pharmacology, April 2015, Elsevier

    Dr Grace Patlewicz

  18. An exposure:activity profiling method for interpreting high-throughput screening data for estrogenic activity—Proof of concept

    Article • Regulatory Toxicology and Pharmacology, April 2015, Elsevier

    Dr Grace Patlewicz

  19. AOPs and IATAs

    Article • Regulatory Toxicology and Pharmacology, December 2014, Elsevier

    Dr Kevin M Crofton, Dr Grace Patlewicz

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

    Article • Regulatory Toxicology and Pharmacology, August 2014, Elsevier

    Dr Grace Patlewicz

  21. Developing scientific confidence in HTS-derived prediction models: Lessons learned from an endocrine case study

    Article • Regulatory Toxicology and Pharmacology, August 2014, Elsevier

    Dr Grace Patlewicz

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

    Article • SAR and QSAR in Environmental Research, May 2014, Taylor & Francis

    Dr Grace Patlewicz

  23. 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

    Article • Regulatory Toxicology and Pharmacology, March 2014, Elsevier

    Dr Grace Patlewicz

  24. A Mechanistic Approach to Modeling Respiratory Sensitization

    Article • Chemical Research in Toxicology, February 2014, American Chemical Society (ACS)

    Dr Grace Patlewicz

  25. EN

    Article • ALTEX, January 2014, ALTEX Edition

    Dr Grace Patlewicz

  26. Integrated testing and assessment approaches for skin sensitization: a commentary

    Article • Journal of Applied Toxicology, October 2013, Wiley

    Dr Grace Patlewicz

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

    Article • Regulatory Toxicology and Pharmacology, October 2013, Elsevier

    Dr Grace Patlewicz

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

    Article • Regulatory Toxicology and Pharmacology, March 2013, Elsevier

    Dr Grace Patlewicz

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

    Article • Regulatory Toxicology and Pharmacology, March 2013, Elsevier

    Dr Grace Patlewicz

  30. A step change towards risk assessment in the 21st century

    Article • Frontiers in Bioscience, January 2013, Frontiers in Bioscience

    Dr Grace Patlewicz

  31. 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

    Article • Chemical Research in Toxicology, February 2012, American Chemical Society (ACS)

    Dr Grace Patlewicz

  32. Chemistry-Based Risk Assessment for Skin Sensitization: Quantitative Mechanistic Modeling for the SNAr Domain

    Article • Chemical Research in Toxicology, July 2011, American Chemical Society (ACS)

    Dr Grace Patlewicz

  33. Network Topological Indices from Chem-Bioinformatics to Legal Sciences and back

    Article • Current Bioinformatics, March 2011, Bentham Science Publishers

    IKERBASQUE Professor Humberto González-Díaz, Dr Grace Patlewicz

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

    Article • SAR and QSAR in Environmental Research, January 2011, Taylor & Francis

    Dr Grace Patlewicz

  35. Markov Entropy Centrality: Chemical, Biological, Crime, and Legislative Networks

    Article • January 2011, Springer Science + Business Media

    Dr Grace Patlewicz

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

    Article • Chemical Research in Toxicology, October 2010, American Chemical Society (ACS)

    Dr Grace Patlewicz

  37. Can mutagenicity information be useful in an Integrated Testing Strategy (ITS) for skin sensitization?

    Article • SAR and QSAR in Environmental Research, October 2010, Taylor & Francis

    Dr Grace Patlewicz

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

    Article • Current Pharmaceutical Design, August 2010, Bentham Science Publishers

    Dr Grace Patlewicz, IKERBASQUE Professor Humberto González-Díaz

  39. Updating the Skin Sensitizationin VitroData Assessment Paradigm in 2009 - a chemistry and QSAR perspective

    Article • Journal of Applied Toxicology, January 2010, Wiley

    Dr Grace Patlewicz

  40. Chemistry Based Nonanimal Predictive Modeling for Skin Sensitization

    Article • January 2009, Springer Science + Business Media

    Dr Grace Patlewicz

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

    Article • Current Topics in Medicinal Chemistry, December 2008, Bentham Science Publishers

    Dr Grace Patlewicz

  42. Toxmatch—A chemical classification and activity prediction tool based on similarity measures

    Article • Regulatory Toxicology and Pharmacology, November 2008, Elsevier

    Dr Grace Patlewicz

  43. Nonanimal Alternatives for Skin Sensitization: Letter to the Editor

    Article • Toxicological Sciences, August 2008, Oxford University Press (OUP)

    Dr Grace Patlewicz

  44. An evaluation of the implementation of the Cramer classification scheme in the Toxtree software

    Article • SAR and QSAR in Environmental Research, July 2008, Taylor & Francis

    Dr Grace Patlewicz

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

    Article • Toxicology Letters, July 2008, Elsevier

    Dr Grace Patlewicz

  46. FS04.3
Hair dyes, prediction of sensitization potential with QSAR

    Article • Contact Dermatitis, June 2008, Wiley

    Dr Grace Patlewicz

  47. P38
Quantitative structure activity relationships for fragrance aldehydes

    Article • Contact Dermatitis, June 2008, Wiley

    Dr Grace Patlewicz

  48. P79
A chemical dataset for evaluation of alternative approaches to skin sensitization testing

    Article • Contact Dermatitis, June 2008, Wiley

    Dr Grace Patlewicz

  49. ChemInform Abstract: A Minireview of Available Skin Sensitization (Q)SARs/Expert Sytems

    Article • ChemInform, June 2008, Wiley

    Dr Grace Patlewicz

  50. ChemInform Abstract: A Review of (Q)SAR Models for Skin and Eye Irritation and Corrosion

    Article • ChemInform, June 2008, Wiley

    Dr Grace Patlewicz

  51. Skin, drug and chemical reactions

    Article • Drug Discovery Today Disease Mechanisms, June 2008, Elsevier

    Dr Grace Patlewicz

  52. Toxmatch–a new software tool to aid in the development and evaluation of chemically similar groups

    Article • SAR and QSAR in Environmental Research, April 2008, Taylor & Francis

    Dr Grace Patlewicz

  53. A Comparison of Reactivity Schemes for the Prediction Skin Sensitization Potential

    Article • Chemical Research in Toxicology, February 2008, American Chemical Society (ACS)

    Dr Grace Patlewicz

  54. Chemical reactivity indices and mechanism-based read-across for non-animal based assessment of skin sensitisation potential

    Article • Journal of Applied Toxicology, January 2008, Wiley

    Dr Grace Patlewicz

  55. A Minireview of Available Skin Sensitization (Q)SARs/Expert Systems

    Article • QSAR & Combinatorial Science, January 2008, Wiley

    Dr Grace Patlewicz

  56. The reduced local lymph node assay: the impact of group size

    Article • Journal of Applied Toxicology, January 2008, Wiley

    Dr Grace Patlewicz

  57. A Review of (Q)SAR Models for Skin and Eye Irritation and Corrosion

    Article • QSAR & Combinatorial Science, November 2007, Wiley

    Dr Grace Patlewicz

  58. TIMES-SS—A Mechanistic Evaluation of an External Validation Study Using Reaction Chemistry Principles

    Article • Chemical Research in Toxicology, September 2007, American Chemical Society (ACS)

    Dr Grace Patlewicz

  59. TIMES-SS—A promising tool for the assessment of skin sensitization hazard. A characterization with respect to the OECD validation principles for (Q)SARs and an external evaluation for predictivity

    Article • Regulatory Toxicology and Pharmacology, July 2007, Elsevier

    Dr Grace Patlewicz

  60. Mechanistic Applicability Domain Classification of a Local Lymph Node Assay Dataset for Skin Sensitization

    Article • Chemical Research in Toxicology, July 2007, American Chemical Society (ACS)

    Dr Grace Patlewicz

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

    Article • SAR and QSAR in Environmental Research, July 2007, Taylor & Francis

    Dr Grace Patlewicz

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

    Article • SAR and QSAR in Environmental Research, May 2007, Taylor & Francis

    Dr Grace Patlewicz

  63. Evaluation of SARs for the prediction of skin irritation/corrosion potential–structural inclusion rules in the BfR decision support system†

    Article • SAR and QSAR in Environmental Research, May 2007, Taylor & Francis

    Dr Grace Patlewicz

  64. 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

    Article • Chemical Research in Toxicology, January 2007, American Chemical Society (ACS)

    Dr Grace Patlewicz

  65. Intelligent Testing Strategies

    Article • January 2007, Springer Science + Business Media

    Professor Cornelis J van Leeuwen, Dr Grace Patlewicz

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

    Article • SAR and QSAR in Environmental Research, January 2007, Taylor & Francis

    Dr Grace Patlewicz

  67. Predicting Toxicological and Ecotoxicological Endpoints

    Article • January 2007, Springer Science + Business Media

    Dr Grace Patlewicz

  68. Structure?activity relationships for skin sensitization: recent improvements to Derek for Windows

    Article • Contact Dermatitis, December 2006, Wiley

    Dr Grace Patlewicz

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

    Article • Chemical Research in Toxicology, September 2006, American Chemical Society (ACS)

    Dr Grace Patlewicz

  70. Validation of counter propagation neural network models for predictive toxicology according to the OECD principles: a case study

    Article • SAR and QSAR in Environmental Research, June 2006, Taylor & Francis

    Dr Grace Patlewicz

  71. Computational Methods to Predict Drug Safety

    Article • Current Computer - Aided Drug Design, June 2006, Bentham Science Publishers

    Dr Grace Patlewicz

  72. The local lymph node assay and skin sensitization: a cut-down screen to reduce animal requirements?

    Article • Contact Dermatitis, April 2006, Wiley

    Dr Grace Patlewicz

  73. Non-enzymatic glutathione reactivity and in vitro toxicity: A non-animal approach to skin sensitization

    Article • Toxicology in Vitro, March 2006, Elsevier

    Dr Grace Patlewicz

  74. Compilation of Historical Local Lymph Node Data for Evaluation of Skin Sensitization Alternative Methods

    Article • Dermatitis, December 2005, Wolters Kluwer Health

    Dr Grace Patlewicz

  75. A Stepwise Approach for Defining the Applicability Domain of SAR and QSAR Models.

    Article • ChemInform, September 2005, Wiley

    Dr Grace Patlewicz

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

    Article • Chemical Research in Toxicology, September 2005, American Chemical Society (ACS)

    Dr Grace Patlewicz

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

    Article • International Journal of Toxicology, July 2005, SAGE Publications

    Dr Grace Patlewicz

  78. A Stepwise Approach for Defining the Applicability Domain of SAR and QSAR Models

    Article • Journal of Chemical Information and Computer Sciences, July 2005, American Chemical Society (ACS)

    Dr Grace Patlewicz

  79. Compilation of Historical Local Lymph Node Data for Evaluation of Skin Sensitization Alternative Methods

    Article • Dermatitis, January 2005, Wolters Kluwer Health

    Dr Grace Patlewicz

  80. Ranking of hair dye substances according to predicted sensitization potency: quantitative structure-activity relationships

    Article • Contact Dermatitis, November 2004, Wiley

    Dr Grace Patlewicz

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

    Article • ChemInform, June 2004, Wiley

    Dr Grace Patlewicz

  82. A chemical dataset for evaluation of alternative approaches to skin-sensitization testing

    Article • Contact Dermatitis, May 2004, Wiley

    Dr Grace Patlewicz

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

    Article • Journal of Chemical Information and Computer Sciences, March 2004, American Chemical Society (ACS)

    Dr Grace Patlewicz

  84. Further evaluation of quantitative structure-activity relationship models for the prediction of the skin sensitization potency of selected fragrance allergens

    Article • Contact Dermatitis, February 2004, Wiley

    Dr Grace Patlewicz

  85. Creating molecular diversity from antioxidants in Brazilian propolis. Combination of TOPS-MODE QSAR and virtual structure generation

    Article • Molecular Diversity, January 2004, Springer Science + Business Media

    Dr Grace Patlewicz

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

    Article • Chemical Research in Toxicology, October 2003, American Chemical Society (ACS)

    Dr Grace Patlewicz

  87. QSARs for the skin sensitization potential of aldehydes and related compounds

    Article • Quantitative Structure-Activity Relationships, April 2003, Wiley

    Dr Grace Patlewicz

  88. Contact allergy: the role of skin chemistry and metabolism

    Article • Clinical and Experimental Dermatology, March 2003, Wiley

    Dr Grace Patlewicz

  89. Contact allergy: the local lymph node assay for the prediction of hazard and risk

    Article • Clinical and Experimental Dermatology, March 2003, Wiley

    Dr Grace Patlewicz

  90. QUANTITATIVE STRUCTURE–ACTIVITY RELATIONSHIPS FOR PREDICTING SKIN AND RESPIRATORY SENSITIZATION

    Article • Environmental Toxicology and Chemistry, January 2003, Wiley

    Dr Grace Patlewicz

  91. QUANTITATIVE STRUCTURE–ACTIVITY RELATIONSHIPS FOR PREDICTING SKIN AND EYE IRRITATION

    Article • Environmental Toxicology and Chemistry, January 2003, Wiley

    Dr Grace Patlewicz

  92. QUANTITATIVE STRUCTURE–ACTIVITY RELATIONSHIPS FOR PREDICTING PERCUTANEOUS ABSORPTION RATES

    Article • Environmental Toxicology and Chemistry, January 2003, Wiley

    Dr Grace Patlewicz

  93. QUANTITATIVE STRUCTURE–ACTIVITY RELATIONSHIPS FOR PREDICTING MUTAGENICITY AND CARCINOGENICITY

    Article • Environmental Toxicology and Chemistry, January 2003, Wiley

    Dr Grace Patlewicz

  94. Structure-activity relationships for selected fragrance allergens

    Article • Contact Dermatitis, October 2002, Wiley

    Dr Grace Patlewicz

  95. Investigation of the skin sensitizing activity of linalool

    Article • Contact Dermatitis, September 2002, Wiley

    Dr Grace Patlewicz

  96. Mechanism based structure-activity relationships for skin sensitisation--the carbonyl group domain

    Article • SAR and QSAR in Environmental Research, January 2002, Taylor & Francis

    Dr Grace Patlewicz

  97. Skin-sensitization structure-activity relationships for aldehydes

    Article • Contact Dermatitis, June 2001, Wiley

    Dr Grace Patlewicz

  98. A QSAR model for the eye irritation of cationic surfactants

    Article • Toxicology in Vitro, February 2000, Elsevier

    Dr Grace Patlewicz