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Description of key information

Key value for chemical safety assessment

Skin sensitisation

Link to relevant study records
Reference
Endpoint:
skin sensitisation: in vivo (non-LLNA)
Type of information:
(Q)SAR
Adequacy of study:
key study
Reliability:
2 (reliable with restrictions)
Justification for type of information:
QSAR prediction: migrated from IUCLID 5.6
Qualifier:
according to guideline
Guideline:
other: estimated data
Principles of method if other than guideline:
Prediction is done using QSAR Toolbox version 2.3.

GLP compliance:
no
Type of study:
Draize test
Species:
human
Strain:
not specified
Sex:
not specified
Route:
other: no data
Vehicle:
no data
Route:
other: no data
Vehicle:
no data
Group:
test chemical
Clinical observations:
negative
Remarks on result:
other: Group: test group. Clinical observations: negative.





The prediction was based on dataset comprised from the following descriptors: "Skin sensitisation"
Estimation method: Taking highest mode value from the 5 nearest neighbours
Domain logical expression:Result: In Domain

((("a" and "b" ) and "c" ) and ("d" and "e" ) )

Domain logical expression index: "a"

Similarity boundary:Target: c1(OC)c(N)cc(N(=O)=O)cc1
Threshold=50%,
Dice(Atom pairs)

Domain logical expression index: "b"

Similarity boundary:Target: c1(OC)c(N)cc(N(=O)=O)cc1
Threshold=60%,
Dice(Atom pairs)

Domain logical expression index: "c"

Similarity boundary:Target: c1(OC)c(N)cc(N(=O)=O)cc1
Threshold=80%,
Dice(Atom pairs)

Domain logical expression index: "d"

Parametric boundary:The target chemical should have a value of log Kow which is >= 1.03

Domain logical expression index: "e"

Parametric boundary:The target chemical should have a value of log Kow which is <= 2.04

Interpretation of results:
not sensitising
Remarks:
Migrated information Criteria used for interpretation of results: EU
Conclusions:
According to the quantitative structure activity relationship model prediction, 5-nitro-o-anisidine was predicted to have no sensitization to human skin.
Executive summary:

According to the quantitative structure activity relationship model prediction, 5-nitro-o-anisidine was predicted to have no sensitization to human skin.Which is non adequate to the classification of the substance in skin sensitization category.

Endpoint conclusion
Endpoint conclusion:
no adverse effect observed (not sensitising)
Additional information:

According to the quantitative structure activity relationship model prediction, 5-nitro-o-anisidine was predicted to have no sensitization to human skin.


Migrated from Short description of key information:
no sensitization effect to human.

Justification for selection of skin sensitisation endpoint:
According to the quantitative structure activity relationship model prediction, 5-nitro-o-anisidine was predicted to have no sensitization to human skin.

Justification for classification or non-classification