Predicting properties and toxicity of nanoparticles


The QSAR Lab company specializes in the quantitative modeling of the relationship between chemical structure and activity (Quantitative Structure-Activity Relationships, QSAR) / the physicochemical property (Quantitative Structure-Property Relationships, QSPR) of nanomaterials.

QSAR Lab is a pioneer in the field of computational modeling biological activity/physicochemical properties of nanomaterials.

QSAR Lab members proposed, for the first time, to apply the QSAR methodology for predicting toxicity of nanomaterials (called Nano-QSAR/Nano-QSPR modeling). The proof-of-the-concept was published in Nature Nanotechnology two years later.

Nano-QSAR/Nano-QSPR models allows to predict the selected properties of nanomaterials without the need for expensive, time-consuming and ethically questionable research using laboratory animals.

The QSARLab service includes development of the statistical model (Nano-QSAR/Nano-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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