Registration Dossier

Diss Factsheets

Administrative data

Endpoint:
skin irritation / corrosion, other
Remarks:
QSAR
Type of information:
(Q)SAR
Remarks:
QSAR
Adequacy of study:
key study
Study period:
2017
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:
QSAR

Data source

Reference
Reference Type:
study report
Title:
Unnamed
Year:
2017
Report date:
2017

Materials and methods

Principles of method if other than guideline:
QSAR
GLP compliance:
no

Test material

1
Chemical structure
Reference substance name:
Indole
EC Number:
204-420-7
EC Name:
Indole
Cas Number:
120-72-9
Molecular formula:
C8H7N
IUPAC Name:
1H-indole
Test material form:
solid

Results and discussion

In vitro

Results
Irritation / corrosion parameter:
other: QSAR
Run / experiment:
QSAR
Vehicle controls validity:
not specified
Remarks:
QSAR
Negative controls validity:
not specified
Remarks:
QSAR
Positive controls validity:
not specified
Remarks:
QSAR
Remarks on result:
no indication of irritation
Remarks:
QSAR

Applicant's summary and conclusion

Interpretation of results:
GHS criteria not met
Conclusions:
The skin irritation potential of the Indole was predicted employing two different in silico approaches: the QSAR statistical model as provided by ACD/Percepta and the decision rule system provided by Toxtree. The two predictors were employed in order to integrate and enhance the reliability of the prediction. Since Toxtree did not provide any specific prediction, based on ACD/Percepta prediction Indole was predicted as NOT SKIN IRRITANT, and the prediction was assessed as moderate reliable.
Executive summary:

The skin irritation potential of the Indole was predicted employing two different in silico approaches: the QSAR statistical model as provided by ACD/Percepta and the decision rule system provided by Toxtree. The two predictors were employed in order to integrate and enhance the reliability of the prediction. Since Toxtree did not provide any specific prediction, based on ACD/Percepta prediction Indole was predicted as NOT SKIN IRRITANT, and the prediction was assessed as moderate reliable.