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QSAR & REACH

REACH Implementation Project (R.I.P. 3.3) regulates the usage of computational Quantitative Structure-Activity Relationship (QSAR) under a new EU law on chemicals and their safe use.
REACH suggests that, whenever possible, data for determining toxicity should be obtained with methods (e.g. QSAR) other than testing on vertebrates.

According to OECD principles...

Results obtained from valid qualitative or quantitative structure-activity relationship models QSARs may indicate the presence or absence of a certain dangerous property.

QSAR results can be used instead of tests when the following conditions are fulfilled:
  • The results have been achieved through using a scientifically validated QSAR model;
  • The chemical belongs to the QSAR model’s regulatory area of influence (the substance falls within the applicability domain of the QSAR model);
  • The results are sufficient for classification and marking and assessing risks.
  • Adequate and reliable documentation of the applied method is provided (QMRF; QPRF)

According to REACH legislation...

Results obtained from valid qualitative or quantitative structure-activity relationship models QSARs may indicate the presence or absence of a certain dangerous property. Results of QSARs may used instead of testing when the following conditions are met:
  1. results are derived from a QSAR model whose scientific validity has been established,
  2. the substance falls within the applicability domain of the QSAR model,
  3. results are adequate for the purpose of classification and labelling and/or risk assessment, and
  4. adequate and reliable documentation of the applied method is provided.

Molcode`s QSAR Documentation fully complies with all above mentioned OECD and REACH requirements


QSAR can be used for other EU Directives like...
Other Directives
Cosmetics
Biocides
Pharmaceuticals
Detergents

To learn more about REACH QSAR, discuss specific need or request a quote contact us.
MolCode, Ltd. | Turu 2, 51014 Tartu, Estonia | Phone: +372 7 371 536, Fax: +372 7 371 535