Registration Dossier

Administrative data

Endpoint:
skin sensitisation
Remarks:
other: In silico prediction.
Type of information:
(Q)SAR
Adequacy of study:
key study
Study period:
2010
Reliability:
2 (reliable with restrictions)
Justification for type of information:
QSAR prediction: migrated from IUCLID 5.6

Data source

Reference
Reference Type:
study report
Title:
Unnamed
Year:
2010
Report Date:
2010

Materials and methods

Test guideline
Qualifier:
no guideline followed
Principles of method if other than guideline:
In silico prediction using DEREK.
DEREK is a knowledge-based expert system designed to apply structure-activity relationships to compounds for which little or no data exists and hence to aid in the assessment of their potential toxicity. The DEREK knowledge base contains a large number of rules that associate a chemical structure with one or more toxicity end points. When a structural alert is identified a reasoning programme assigns a probability to the expression of toxicity by the test compound.
GLP compliance:
no
Type of study:
other: In silico prediction.

Test material

Reference
Name:
Unnamed
Type:
Constituent

Results and discussion

Any other information on results incl. tables

DEREK evaluation showed alert for skin sensitization judged “plausible” in mammals including humans.

The presence of a skin sensitization structural alert within a molecule indicates the molecule has the potential to cause skin sensitization.Whether or not the molecule will be a skin sensitizer will also depend upon its percutaneous absorption. Generally, small lipophilic molecules are more readily absorbed into the skin and are therefore more likely to cause sensitization.

Applicant's summary and conclusion

Interpretation of results:
other: alert, but plausible” in mammals including humans
Conclusions:
DEREK evaluation showed alert for skin sensitization judged “plausible” in mammals including humans.