Predicting skin sensitisation using a decision tree integrated testing strategy with an in silico model and in chemico/in vitro assays
Owner/Developer: Regulatory Toxicology and Pharmacology
| Country: | United States of America |
|---|---|
| Languages: | English |
| Url: | http://www.sciencedirect.com/science/article/pii/S0273230016300095 |
| Description: |
There is a pressing need for non-animal methods to predict skin sensitisation potential and a number of in chemico and in vitro assays have been designed with this in mind. However, some compounds can fall outside the applicability domain of these in chemico/in vitro assays and may not be predicted accurately. Rule-based in silico models such as Derek Nexus are expert-derived from animal and/or human data and the mechanism-based alert domain can take a number of factors into account (e.g. abiotic/biotic activation). Therefore, Derek Nexus may be able to predict for compounds outside the applicability domain of in chemico/in vitro assays. To this end, an integrated testing strategy (ITS) decision tree using Derek Nexus and a maximum of two assays (from DPRA, KeratinoSens, LuSens, h-CLAT and U-SENS) was developed. Generally, the decision tree improved upon other ITS evaluated in this study with positive and negative predictivity calculated as 86% and 81%, respectively. Our results demonstrate that an ITS using an in silico model such as Derek Nexus with a maximum of two in chemico/in vitro assays can predict the sensitising potential of a number of chemicals, including those outside the applicability domain of existing non-animal assays. |
| Category: | Publication |
| Channel: | Website |
| Audience: | Not specified |
| User access: | Fee-based access |
| Updating frequency: | April 2016 |
| Relevance: | Replacement |
| Purpose: | Regulatory testing - Toxicological and safety evaluation - Documentation and information |
| Legislative framework: | Cosmetics Regulation (EC) No 1223/2009 - REACH Regulation (EC) No 1907/2006 |
| Technology/Tools: | Alternative test methods (in vitro) - Non-testing methods (in silico) - Integrated approaches to testing and assessment (IATA) |
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