Practical Guide 5: How to report (Q)SARs - ECHA - Europa

− the field “Principles of method other than guideline” is used to include the name
of the model.
Block “Test materials”
− select “yes” in the drop down menu "Test material same as for substance defined
in section 1 (if not read across)”, if the (Q)SAR model is applied to the substance
as reported in section 1.1 of the IUCLID 5 dossier. If the (Q)SAR prediction refers
to one constituent of the substance, select “no” and indicate the identity of the
constituent in the “Test material identity”
− the field “Test material identity” is used to include information on the substance
for which the prediction was made. Please note, that the substance for which the
registration is being made may contain more than one constituent. Each
individual constituent for which the prediction is made should be listed in this
field. Please note that it may be useful to prepare in such cases an individual
endpoint study record for each constituent in order to be able to address each
chemical separately (recommended if constituents have different properties and
different models, assessments, etc have to be applied).
− the field “Details on test material” is used to include the structural representation
(e.g. SMILES notation, mol file as attachment etc.) and possible descriptor values
if used and as used to derive the prediction. If the substance contains impurities
for which a prediction is made, the chemical identification should be reported in
the “Details on the test material”, including the structural representation or
possible descriptor values used. As for constituents, the generation of an
individual endpoint study record for an impurity can be useful, particularly when
different models, assessments, etc have to be applied because of different
chemical properties.
− Confidential information can be placed in “Confidential details on test material”.
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