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Predicting properties and toxicity of chemical substances

 

We provide consulting services in the field of predicting properties and toxicity of chemical substances, in particular used in:

We have knowledge in the field of risk assessment of chemicals based on the Quantitative Structure-Activity Relationship modeling (QSAR) and/or Quantitative Structure-Property Relationships modeling (QSPR). These methods are based on defining mathematical dependencies between the variance in molecular structures (encoded by so-called ‘molecular descriptors’) and the variance in a modeled biological activity for a group of sufficiently similar compounds.

The in silico methods (including QSAR, QSPR) are currently the "gold standard" in assessing the risk of new classes of chemical substances and are recommended by many international regulations, including. Thus, it is possible to optimize the design process, reduce the number of necessary tests, and reduce costs and time of experiments.

The service of our company includes development of the statistical model (QSAR/QSPR), its validation and implementation of researches according to the client needs, along with the preparation of recommendations and suggestions. The service is designed for the needs of the customer.

 

 

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