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Query: UMLS:C0152030 (skin irritation)
 2,146 document(s) hit in 31,850,051 MEDLINE articles (0.00 seconds)

The German Federal Institute for Risk Assessment (BfR) has developed a Decision Support System (DSS) to assess certain hazardous properties of pure chemicals, including skin and eye irritation/corrosion. The BfR-DSS is a rule-based system that could be used for the regulatory classification of chemicals in the European Union. The system is based on the combined use of two predictive approaches: exclusion rules based on physicochemical cut-off values to identify chemicals that do not exhibit a certain hazard (e.g., skin irritation/corrosion), and inclusion rules based on structural alerts to identify chemicals that do show a particular toxic potential. The aim of the present study was to evaluate the structural inclusion rules implemented in the BfR-DSS for the prediction of skin irritation and corrosion. The following assessments were performed: (a) a confirmation of the structural rules by rederiving them from the original training set (1358 substances), and (b) an external validation by using a test set of 200 chemicals not used in the derivation of the rules. 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.
SAR QSAR Environ Res
PMID:Evaluation of SARs for the prediction of skin irritation/corrosion potential: structural inclusion rules in the BfR decision support system. 1751 74

The Integrated Assessment Scheme (IAS) defines weight factors for each piece of toxicological information under REACH in an Integrated Testing Strategy. This IAS is illustrated on skin irritation for Classification and Labelling (C&L) for five substances and using mostly (Q)SAR models. The models are the BfR Rulebase, Derek for Windows and TOPKAT, read across and pH-rules. The weight factors derived in the IAS show that for peracetic-acid and pentabromodiphenylether the C&L decision could be easily made. For bisphenol A additional information on read across was used to finalise a decision on C&L, while for methylphenyl-diisocyanate additional expert judgement was needed. For allylheptanoate only the TOPKAT prediction was in the applicability domain, which was insufficient on its own. Therefore, other non guideline testing information was used and in vitro testing results. The above examples on skin irritation information show how the IAS can aid in the decision making process and how it adds to the ToxRTool and the ITS of Hoffmann et al. on the same endpoint and similar methods.
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PMID:Weight factors in an Integrated Testing Strategy using adjusted OECD principles for (Q)SARs and extended Klimisch codes to decide on skin irritation classification. 2047 Aug 46

We developed a read-across workflow using the OECD QSAR Toolbox for the prediction of skin irritation and corrosion. In the workflow, we gathered analogues using an improved profiler for skin irritation and corrosion to define valid categories. In addition, we refined categories by removing chemicals based on melting points and structural features. Finally, prediction results were obtained using our self-determined rule for read-across. In this rule, we decided the number of analogues from which the read-across is performed, analogue selection criteria (i.e. high similarity vs. near log Pow) and prediction rule (i.e. majority vs. unanimity). We created a program for the optimization of read-across workflows. We applied this program to 313 chemicals in the training set and sought the optimized workflows among >1000 possible choices of profilers and ways of subcategorization and data gap filling. Use of the optimized workflows provided highly accurate, unbiased, user-independent and reproducible read-across predictions. The prediction results obtained from read-across workflows can be used for the selection of in vitro test methods or as part of the weight-of-evidence approaches in the Integrated Approach on Testing and Assessment for skin irritation and corrosion. Moreover, these results can be used for screening purposes and/or preliminary hazard assessment.
SAR QSAR Environ Res 2019 Apr
PMID:Development of a read-across workflow for skin irritation and corrosion predictions. 3101 52