Registration Dossier

Diss Factsheets

Administrative data

Endpoint:
skin sensitisation, other
Type of information:
(Q)SAR
Adequacy of study:
weight of evidence
Study period:
2018
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:
Derek for Windows - Skin Sensitisation
Derek Nexus 6.0 was released on 12 December 2017.
Derek Nexus is an expert knowledge-based software.

QMRF for this informatic tool is not available. However, this informatic tool is widely used and reported in ECHA Practical Guide - How to use and report (Q)SARs, Version 3.1 (July 2016).

Data source

Reference
Reference Type:
other: QSAR
Title:
Derek Nexus 6.0
Year:
2017
Bibliographic source:
Derek Nexus is an expert knowledge-based software.

Materials and methods

Principles of method if other than guideline:
Derek for Windows - Skin Sensitisation
Derek Nexus 6.0 was released on 12 December 2017
QMRF for this informatic tool is not available. However, this informatic tool is widely used and reported in ECHA Practical Guide - How to use and report (Q)SARs, Version 3.1 (July 2016).
Data from several toxicity assays (e.g. LLNA, GPMT, HRIPT) and mechanistic studies (e.g. DPRA) are synthesised to arrive at an expert conclusion of whether compounds within the model training set is likely to be a skin sensitiser.

Test material

Constituent 1
Chemical structure
Reference substance name:
Taurine
EC Number:
203-483-8
EC Name:
Taurine
Cas Number:
107-35-7
Molecular formula:
C2H7NO3S
IUPAC Name:
2-aminoethanesulfonic acid
Test material form:
solid: particulate/powder
Specific details on test material used for the study:
The substance to be evaluated is: Taurine - IUPAC name: 2-aminoethanesulfonic acid
C(CS(=O)(=O)O)N

Results and discussion

In vitro / in chemico

Results
Remarks on result:
not measured/tested

In vivo (non-LLNA)

Results
Remarks on result:
not measured/tested

In vivo (LLNA)

Results
Remarks on result:
not measured/tested

Applicant's summary and conclusion

Interpretation of results:
GHS criteria not met
Conclusions:
The query structure does not match any structural alerts or examples for skin sensitisation in Derek.
Additionally, the query structure does not contain any unclassified or misclassified features and is consequently predicted to be a non-sensitiser.