Registration Dossier

Administrative data

Endpoint:
skin irritation / corrosion, other
Type of information:
(Q)SAR
Adequacy of study:
weight of evidence
Study period:
2018
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
Justification for type of information:
See attached QPRF.
QMRF for this informatic tool (skin irritation ednpoint) is not available. However, this informatic tool is widely used and reported in ECHA Practical Guide - How to use and report (Q)SARs, Version 3.1 (July 2016).

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:
Derek for Windows - Skin Irritation
Derek Nexus 6.0 was released on 12 December 2017
QMRF for this informatic tool is not available. However, this informatic tool is widely used and reported in ECHA Practical Guide - How to use and report (Q)SARs, Version 3.1 (July 2016).
The scopes of the structure-activity relationships describing the skin irritation endpoint are defined by the developer to be the applicability domain for the model. Therefore, if a chemical activates an alert describing a structure-activity for skin irritation it can be considered to be within the applicability domain. If a compound does not activate an alert or reasoning rule then Derek makes a negative prediction.

Test material

Reference
Name:
Unnamed
Type:
Constituent
Test material form:
solid: crystalline
Specific details on test material used for the study:
C[C@H](CCC(=O)O)[C@H]1CC[C@H]2[C@H]3[C@H](CC(=O)[C@]12C)[C@@]4(C)CCC(=O)C[C@H]4CC3=O (dehydrocholic acid)

Results and discussion

In vitro

Results
Remarks on result:
not measured/tested

In vivo

Results
Remarks on result:
not measured/tested

Any other information on results incl. tables

The query structure does not match any structural alerts or examples for skin irritation in Derek.

The substance Dehydrocholic acid falls within the applicability domain described above and therefore, the predicted value can be considered reliable for Dehydrocholic acid.

Applicant's summary and conclusion

Interpretation of results:
GHS criteria not met
Conclusions:
The query structure does not match any structural alerts or examples for skin irritation in Derek.
The substance Dehydrocholic acid falls within the applicability domain described above and therefore, the predicted value can be considered reliable for Dehydrocholic acid.
Dehydrocholic acid does not satisfy the CLP criteria for the skin corrosion/irritation endpoint.