Registration Dossier

Administrative data

Endpoint:
skin sensitisation, other
Type of information:
(Q)SAR
Adequacy of study:
key study
Reliability:
2 (reliable with restrictions)
Rationale for reliability incl. deficiencies:
results derived from a valid (Q)SAR model and falling into its applicability domain, with adequate and reliable documentation / justification

Data source

Reference
Reference Type:
other: QSAR
Title:
Derek Nexus 6.0
Year:
2017
Bibliographic source:
Derek for Windows - Skin Sensitisation

Materials and methods

Principles of method if other than guideline:
- Software tool(s) used including version: Derek Nexus 6.0
- Model(s) used: for Windows - Skin Sensitisation
- Model description: see field 'Attached justification'
- Justification of QSAR prediction: see field 'Attached justification'
GLP compliance:
no

Test material

Reference
Name:
Unnamed
Type:
Constituent
Test material form:
solid: granular
Specific details on test material used for the study:
C1CCNC(C1)C(C2=CC=CC=C2)C(=O)O

Results and discussion

In vitro / in chemico

Results
Parameter:
other: (Q)SAR
Remarks on result:
no indication of skin sensitisation

Applicant's summary and conclusion

Interpretation of results:
GHS criteria not met
Conclusions:
The substance falls within the applicability domain described above and therefore, the predicted value can be considered reliable.
The query structure does not match any structural alerts or examples for skin sensitisation in Derek. Additionally, the query structure does not contain any unclassified or misclassified features and is consequently predicted to be a non-sensitiser.