Registration Dossier

Administrative data

Endpoint:
skin sensitisation
Remarks:
other: in silico (rule-based tool)
Type of information:
(Q)SAR
Adequacy of study:
supporting study
Reliability:
2 (reliable with restrictions)
Rationale for reliability incl. deficiencies:
other: Protein binding is only one step in elicitation of skin sensitizing response.
Justification for type of information:
QSAR prediction: migrated from IUCLID 5.6

Data source

Reference
Reference Type:
other company data
Title:
Unnamed
Year:
2012
Report Date:
2012

Materials and methods

Principles of method if other than guideline:
Comparison of the structure against structural alerts for protein binding (including tentative metabolites)
GLP compliance:
no

Test material

Reference
Name:
Unnamed
Type:
Constituent

Results and discussion

Applicant's summary and conclusion

Interpretation of results:
other: no protein binding potential predicted
Conclusions:
The OASIS protein binding module contained in the OECD toolbox did not identy structural alerts for protein binding. The substance was processed with the skin metabolism simulator tool which predicted two metabolites. Also for these, no structural alerts for protein binding were identified.