Research Topics
| G PatlewiczSummaryAffiliation: European Commission Country: Italy Publications
| Collaborators
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Detail Information
Publications
An evaluation of selected global (Q)SARs/expert systems for the prediction of skin sensitisation potentialG Patlewicz
European Chemicals Bureau TP582, IHCP, Joint Research Centre, European Commission, Ispra, Italy
SAR QSAR Environ Res 18:515-41. 2007..Of the models/expert systems evaluated, none performed sufficiently well to act as a standalone tool for hazard identification...- 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 predictivityGrace Patlewicz
European Chemicals Bureau, TP 582, Institute for Health and Consumer Protection, Joint Research Centre, European Commission, 21020 Ispra, VA, Italy
Regul Toxicol Pharmacol 48:225-39. 2007..Improvements for TIMES-SS were proposed where appropriate. TIMES-SS is a promising tool to aid in the evaluation of skin sensitization hazard under legislative programs such as REACH... - Evaluation of SARs for the prediction of skin irritation/corrosion potential: structural inclusion rules in the BfR decision support systemA Gallegos Saliner
European Chemicals Bureau, Institute for Health and Consumer Protection, Joint Research Centre, Ispra Va, Italy
SAR QSAR Environ Res 18:331-42. 2007..It was found as a result that the test data set did not match the training set relative to the inclusion of structural alerts associated with skin irritation/corrosion, albeit some skin irritants were in the test set... 
An evaluation of the implementation of the Cramer classification scheme in the Toxtree softwareG Patlewicz
European Commission, DG Joint Research Centre, Institute for Health and Consumer Protection, Ispra, Italy
SAR QSAR Environ Res 19:495-524. 2008..Overall Toxtree was found to be a useful tool in facilitating the systematic evaluation of compounds through the Cramer scheme...- A comparison of reactivity schemes for the prediction skin sensitization potentialGrace Patlewicz
European Commission, DG Joint Research Centre, Institute for Health and Consumer Protection, European Chemicals Bureau TP582, 21027 Ispra VA, Italy
Chem Res Toxicol 21:521-41. 2008..The similarities and differences of the schemes are highlighted, together with modifications that could be made to TIMES-SS to harmonize the two approaches... - Toxmatch-a new software tool to aid in the development and evaluation of chemically similar groupsG Patlewicz
European Commission, Joint Research Centre, Institute for Health and Consumer Protection, European Chemicals Bureau ECB, Ispra, Italy
SAR QSAR Environ Res 19:397-412. 2008..Insights from using this software are highlighted with specific focus on the prospective application of chemical groupings under the new chemicals legislation, REACH... - The role of the European Chemicals Bureau in promoting the regulatory use of (Q)SAR methodsA P Worth
European Chemicals Bureau ECB, Institute for Health and Consumer Protection, Joint Research Centre, European Commission, 21020 Ispra VA, Italy
SAR QSAR Environ Res 18:111-25. 2007.... - A feasibility study developing an integrated testing strategy assessing skin irritation potential of chemicalsSebastian Hoffmann
European Centre for the Validation of Alternative Methods ECVAM, Institute of Health and Consumer Protection IHCP, Joint Research Centre, European Commission, Via E Fermi 2749, 21027 Ispra VA, Italy
Toxicol Lett 180:9-20. 2008..This study demonstrated that ITS can be constructed, evaluated and compared in a systematic fashion. To promote ITS, further guidance on construction and multi-parameter evaluation need to be developed... - Toxmatch--a chemical classification and activity prediction tool based on similarity measuresAna Gallegos-Saliner
Institute for Health and Consumer Protection, Joint Research Centre European Commission, 21027 Ispra VA, Italy
Regul Toxicol Pharmacol 52:77-84. 2008..e. the descriptors selected were relevant for skin irritation/corrosion. The Euclidean distance index was found to be the most predictive of the indices in assessing the performance of the rules... - Validation of counter propagation neural network models for predictive toxicology according to the OECD principles: a case studyM Vracko
European Chemical Beaureau, Institute for Health and Consumer Protection, European Commission Joint Research Centre, 21020 Ispra, Italy
SAR QSAR Environ Res 17:265-84. 2006..The study demonstrates that most, if not all, of the OECD criteria may be met when modeling using this neural network approach... - Non-enzymatic glutathione reactivity and in vitro toxicity: a non-animal approach to skin sensitizationAynur O Aptula
SEAC, Unilever Colworth, Sharnbrook, Bedford, MK44 1LQ, United Kingdom
Toxicol In Vitro 20:239-47. 2006..Due to the selectivity of electro(nucleo)philic reactions some sensitizing compounds will not be identified using a single nucleophile such as thiol... - Quantitative structure-activity relationships for predicting skin and eye irritationGrace Patlewicz
Safety and Environmental Assurance Centre, Unilever Colworth, Colworth House, Sharnbrook, Bedford, Bedfordshire MK44 1LQ, United Kingdom
Environ Toxicol Chem 22:1862-9. 2003..Creation of appropriate data sets for experimentation would facilitate the development of robust QSARs for predicting skin and eye irritation... - TIMES-SS--a mechanistic evaluation of an external validation study using reaction chemistry principlesDavid W Roberts
Liverpool John Moores University, Liverpool, United Kingdom
Chem Res Toxicol 20:1321-30. 2007..TIMES-SS is a promising tool to aid in the evaluation of skin sensitization potential under legislative programs such as REACH... - Chemical reactivity indices and mechanism-based read-across for non-animal based assessment of skin sensitisation potentialDavid W Roberts
School of Pharmacy and Chemistry, Liverpool John Moores University, England
J Appl Toxicol 28:443-54. 2008..An illustration of the types of quantitative mechanistic models that could be built using databases of kinetic measures of reactivity, hydrophobicity and existing in vivo bioassay data is also given... - Mechanistic applicability domain classification of a local lymph node assay dataset for skin sensitizationDavid W Roberts
School of Pharmacy and Chemistry, Liverpool John Moores University, Liverpool, UK
Chem Res Toxicol 20:1019-30. 2007..This understanding is necessary if reliable non-animal approaches, including (quantitative) structure-activity relationships (Q)SARs, read-across, and experimental chemistry based models, are to be developed... - Mechanistic applicability domains for non-animal based prediction of toxicological endpoints. QSAR analysis of the schiff base applicability domain for skin sensitizationDavid W Roberts
School of Pharmacy and Chemistry, Liverpool John Moores University, Byrom Street, Liverpool L3 3AF, England
Chem Res Toxicol 19:1228-33. 2006.... - Skin sensitisation and epidermal disposition: the relevance of epidermal disposition for sensitisation hazard identification and risk assessment. The report and recommendations of ECVAM workshop 59David Basketter
Unilever Safety and Environmental Assurance Centre, Bedfordshire, UK
Altern Lab Anim 35:137-54. 2007 - Computer-aided knowledge generation for understanding skin sensitization mechanisms: the TOPS-MODE approachErnesto Estrada
Safety and Environmental Assurance Centre SEAC, Unilever Colworth, Colworth House, Sharnbrook, Bedford, MK44 1LQ, United Kingdom
Chem Res Toxicol 16:1226-35. 2003..The models have also been able to identify potential structural alerts for chemicals requiring metabolic activation... - Skin sensitization: reaction mechanistic applicability domains for structure-activity relationshipsAynur O Aptula
SEAC, Unilever Colworth, Sharnbrook, Bedford, MK44 1LQ, England
Chem Res Toxicol 18:1420-6. 2005.... - 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 assayDavid W Roberts
School of Pharmacy and Chemistry, Liverpool John Moores University, Byrom Street, Liverpool L3 3AF, England, SEAC, Unilever Colworth, Sharnbrook, Bedford MK44 1LQ, England
Chem Res Toxicol 20:44-60. 2007..The other 12 compounds, whose chemistry was not immediately obvious, were found after further analysis and literature research to fit into appropriate mechanistic domains that rationalize their skin sensitizing properties... - Quantitative structure-activity relationships for predicting percutaneous absorption ratesJohn D Walker
TSCA Interagency Testing Committee, Office of Pollution Prevention and Toxics 7401, U S Environmental Protection Agency, 1200 Pennsylvania Avenue, Northwest, Washington, DC 20460, USA
Environ Toxicol Chem 22:1870-84. 2003.... - A stepwise approach for defining the applicability domain of SAR and QSAR modelsSabcho Dimitrov
Laboratory of Mathematical Chemistry, University Prof. As. Zlatarov, 8010 Bourgas, Bulgaria
J Chem Inf Model 45:839-49. 2005..The results clearly showed that credibility in predictions of QSAR models for chemicals belonging to their domain is much higher than for chemicals outside this domain... - Quantitative structure-activity relationships for predicting mutagenicity and carcinogenicityGrace Patlewicz
Safety and Environmental Assurance Centre, SEAC, Unilever Colworth, Colworth House, Sharnbrook, Bedford, Bedfordshire MK44 1LQ, United Kingdom
Environ Toxicol Chem 22:1885-93. 2003.... - Creating molecular diversity from antioxidants in Brazilian propolis. Combination of TOPS-MODE QSAR and virtual structure generationErnesto Estrada
Safety, and Environmental Assurance Centre SEAC, Unilever Colworth, Sharnbrook, Bedford, UK
Mol Divers 8:21-33. 2004..This contributes to enhance the molecular diversity of the analogues of Brazilian propolis compounds with antioxidative properties... - Quantitative structure-activity relationships for predicting skin and respiratory sensitizationRosemary Rodford
Solo Star, 19 Spinney Road, Chawston, Bedford, Bedfordshire MK44 3BW, United Kingdom
Environ Toxicol Chem 22:1855-61. 2003..Such QSARs will be valuable in the evaluation of identifiable toxic hazards where dose responses are relevant, as is the case for skin and respiratory sensitization...