QSAR prediction for impurity toxicity analysis in eu and South American pesticide registration
EU PPP registration
Mexico pesticide registration
Brazil pesticide registration
Prediction and analysis of nodes in eu REACH regulations
Read-across and grouping analysis
Open source/commercial QSAR software use and prediction
Danish QSAR database
Other services related to non-test methods
Experimental results prediction
1）Predictions generated by different software, both commercial and freeware
2）Customized model development according the requirement of client
3）Assessment of each prediction reliability, as required by OECD principles for the validation, for regulatory purposes, of QSARs
4) Detailed report complied according to the requirement of ECHA (QMRF, QPRF, IUCLID)
1) Structural analogue search and identification of potential candidates for the read-across
2) Checking the availability of toxicological
and eco-toxicological experimental data for the candidate substance in the read-across workflow
3) Read-across prediction for the target chemical
4) Detailed documentation of the read-across study according RAAF
In all cases of new/increased levels of impurities, need: toxicology (Q)SAR analysis, if a reliable prediction is possible and can be supported scientifically. If there is an SAR alert for the impurity, it should be considered if this alert is also present in the active substance (and hence whether the potential concern is addressed by studies on the active substance). It might be considered appropriate to having a closer look at the alert and the structure triggering the alert or to investigate further to determine the validity of the alert in this particular case, e.g., by conducting a study.
When new impurities whose concentration is ≥0.1% (1g / kg), their non-relevance should be justified by QSAR.
In all cases of new impurities or enhanced levels of impurities are required studies of structure-activity relationship, covering all endpoints required for the evaluation of a technical product using different expert systems, and support data to explain why these impurities are non-relevant;
In the case where tests cannot be performed, internationally accepted estimation methods such as Quantitative Structure-Activity Relationships (QSAR) and read-across can be adopted.
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