5-(1-methyl-4-piperidyl)-5H-dibenzo[a,d]cyclohepten-5-ol hydrochloride

Genetic toxicity: in vitro

Administrative data

Endpoint:

genetic toxicity in vitro, other

Type of information:

(Q)SAR

Adequacy of study:

other information

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

Data source

Reference

Reference Type:

publication

Title:

VEGA report - Mutagenicity (Ames test) model (KNN/Read-Across) 1.0.0

Year:

2017

Bibliographic source:

Istituto Di Ricerche Farmacologiche Mario Negri

Materials and methods

Test guideline

Qualifier:

according to guideline

Guideline:

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

Version / remarks:

May 2008.

Deviations:

not applicable

Results and discussion

Remarks on result:

no mutagenic potential (based on QSAR/QSPR prediction)

Any other information on results incl. tables

Prediction is NON-Mutagen, the result appears reliable.

The predicted compound is into the Applicability Domain of the model (AD index = 0.921).

Strongly similar compounds with known experimental value in the training set have been found (Similarity index = 0.849).

Accuracy of prediction for similar molecules found in the training set is good (Accuracy index = 1).

Similar molecules found in the training set have experimental values that agree with the predicted value (Concordance index = 1).

All atom centered fragment of the compound have been found in the compounds of the training set (ACF index = 1).

Applicant's summary and conclusion

Conclusions:

Prediction is NON-Mutagen, the result appears reliable.