Registration Dossier

Administrative data

Endpoint:
skin irritation / corrosion
Remarks:
other: in silico
Type of information:
(Q)SAR
Adequacy of study:
key study
Reliability:
2 (reliable with restrictions)
Rationale for reliability incl. deficiencies:
other: No experimental results with laboratory animals are available, but the in silico study is well documented and results are calculated according to validated prediction tools: ACD/Tox Suite and Toxtree.
Justification for type of information:
QSAR prediction: migrated from IUCLID 5.6

Data source

Reference
Reference Type:
study report
Title:
Unnamed
Year:
2011

Materials and methods

Test guideline
Qualifier:
no guideline available
Principles of method if other than guideline:
ACD/Tox Suite lists all the rules that are applicable and are used in the calculation, it highlights the structural fragments corresponding to the listed rules on the molecule of interest and it provides a list of up to five most similar structures from the training set with the experimental values of their standard Draize test result and references.
Toxtree predicts skin irritation based on physicochemical property exclusion rules and structural inclusion rules and in particular it places chemicals into categories and predicts various kinds of toxic effect by applying decision tree approaches according to the previous rulebases for skin and eye irritation and corrosion.
GLP compliance:
not specified

Test material

Reference
Name:
Unnamed
Type:
Constituent
Type:
Constituent
Type:
Constituent
Type:
Constituent
Type:
Constituent

Test animals

Species:
rabbit

Results and discussion

Any other information on results incl. tables

Regarding skin irritation, ACD/Tox Suite predicts that the five biliary acids are POSITIVE, since monocarboxyacids without basic groups in the molecule are identified as highly probable irritants of the rabbit's skin.

Toxtree did NOT identify any structural alerts for skin irritation for the five biliary acids but, following a precautionary principle, the five biliary acids are considered POTENTIALLY IRRITANT for skin.

Applicant's summary and conclusion

Interpretation of results:
other: potentially irritating
Remarks:
Criteria used for interpretation of results: expert judgment
Conclusions:
Following a precautionary point of view, 12-ketochenodeoxycholic acid is considered to be irritating to the skin.
Executive summary:

Regarding skin irritation, ACD/Tox Suite predicts that the five biliary acids are POSITIVE, since monocarboxyacids without basic groups in the molecule are identified as highly probable irritants of the rabbit's skin.

Toxtree did NOT identify any structural alerts for skin irritation for the five biliary acids but, following a precautionary principle, the five biliary acids are considered POTENTIALLY IRRITANT for skin.