1-(5,6-dihydrobenzo[b][1]benzazepin-11-yl)ethanone

Eye irritation

Administrative data

Endpoint:

eye irritation, other

Remarks:

Toxtree

Type of information:

other: expert system based on decision tree approach

Adequacy of study:

disregarded due to major methodological deficiencies

Reliability:

3 (not reliable)

Rationale for reliability incl. deficiencies:

results derived from a valid (Q)SAR model, but not (completely) falling into its applicability domain, and documentation / justification is limited

Justification for type of information:

Documentation about the justification is provided in attachment (See Supporting information). The reliability assessment of the prediction is presented in the attached document as well (QPRF).

Data source

Reference

Reference Type:

other: Expert System

Title:

ToxTree v.3.1.0

Year:

2018

Bibliographic source:

Eye irritation and corrosion decision tree

Materials and methods

Test guideline

Qualifier:

equivalent or similar to guideline

Guideline:

other: ECHA guidance on information requirements and chemical safety assessment Chapter R.6: QSARs and grouping of chemicals.

Test material

Test material information

Details on test material:

The SMILES included in the reference substance linked in Section 1 (General information) was used as model input.

Specific details on test material used for the study:

CC(=O)N1C2=CC=CC=C2CCC3=CC=CC=C31

Results and discussion

In vitro

Results

Irritation parameter:

other: ToxTree

Run / experiment:

Not determinable

Remarks on result:

not determinable

Applicant's summary and conclusion

Interpretation of results:

study cannot be used for classification

Conclusions:

The irritance corrosion potential of the substance could not be predicted by the expert system utilized.