Modelling and read-across for substance classification
Modelling and read-across for predicting the physical hazards of substances is not appropriate, as there are no barriers to testing, and if a hazard is possible, then it should be tested for.
Where you do not have published test data on a substance for health or environmental hazards, it is sometimes possible to compare the substance with similar substances which have been tested. This may be required in an effort to avoid animal testing, and is permissible under both CLP and REACH.
However, this is an area where expert chemical and toxicological advice is required, and we recommend you seek appropriate help if considering this as a classification route.