Osalmid

Endpoint summary

Description of key information

Information is obtained from QSAR's process

Key value for chemical safety assessment

Skin sensitisation

Link to relevant study records

Reference

Endpoint:

skin sensitisation, other

Remarks:

QSAR prediction

Type of information:

(Q)SAR

Adequacy of study:

weight of evidence

Study period:

January 2016

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 limited documentation / justification

Justification for type of information:

1. SOFTWARE
VEGA (version 1.1.3)

2. MODEL (incl. version number)
Skin Sensitization model (CAESAR) 2.1.6

3. SMILES OR OTHER IDENTIFIERS USED AS INPUT FOR THE MODEL
O=C(Nc1ccc(O)cc1)c2ccccc2(O)

For SCIENTIFIC VALIDITY OF THE (Q)SAR MODEL, APPLICABILITY DOMAIN and ADEQUACY OF THE RESULT please see the attached document "Skin Sensitisation Model
version 2.1.6" in the field "Attached justification" where the QMRF is explained.

Reason / purpose for cross-reference:

(Q)SAR model reporting (QMRF)

Guideline:

other: REACH Guidance on QSARs R.6

Principles of method if other than guideline:

Full reference and details of the used formulas can be found in:
Chaudhry, Q., Piclin, N., Cotterill, J., Pintore, M., Price, N. R., Chrétien, J. R. and Roncaglioni, A. (2010). Global QSAR models of skin sensitisers for regulatory purposes., Chem Cent J 4 Suppl 1, S5.

Specific details on test material used for the study:

SMILES : O=C(Nc1ccc(O)cc1)c2ccccc2(O)

Key result

Parameter:

other: Similar molecules with known experimental value

Remarks:

Similarity index

Value:

ca. 0.813

Remarks on result:

other:

Remarks:

Prediction is NON-Sensitizer, but the result may be not reliable

Prediction is NON-Sensitizer, but the result may be not reliable. A check of the information given in the following section should be done, paying particular attention to the following issues: - similar molecules found in the training set have experimental values that disagree with the predicted value.

Interpretation of results:

other: Prediction is NON-Sensitizer

Conclusions:

Prediction is NON-Sensitizer, but the result may be not reliable. A check of the information given in the following section should be done, paying particular attention to the following issues:
- similar molecules found in the training set have experimental values that disagree with the predicted value

Endpoint conclusion

Endpoint conclusion:

no adverse effect observed (not sensitising)