Registration Dossier

Administrative data

Endpoint:
skin sensitisation, other
Remarks:
QSAR
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 Nexus is an expert knowledge-based software.

Materials and methods

Principles of method if other than guideline:
- Software tool(s) used including version: Derek Nexus v6.0
- Model(s) used: Derek Nexus - skin sensitisation
- Model description: see field 'Attached justification'
- Justification of QSAR prediction: see field 'Justification for type of information', 'Attached justification' and/or 'Cross-reference'
GLP compliance:
no

Test material

Reference
Name:
Unnamed

Results and discussion

In vivo (non-LLNA)

Results
Reading:
other: prediction
Remarks on result:
other: not skin sensitizer

Applicant's summary and conclusion

Interpretation of results:
other: not skin sensitizer
Conclusions:
The query structure does not match any structural alerts or examples for skin sensitisation in Derek.
The substance falls within the applicability domain described above and therefore, the predicted value can be considered reliable.