Computer design of chemical compounds

Computer design of chemical compounds and (nano) materials

The market demand for new chemicals is constantly growing. It concerns improving the quality of chemical products present on the market by enriching them with new ingredients with improved parameters, as well as developing completely new chemical products that meet the needs of consumers.

The use of modern chemoinformatics methods in computer design of chemical compounds allows for:

Predicting key properties of compounds already at the design stage

Expansion of the set of considered substances

Shortening the time to obtain results and reducing investment costs

QSAR Lab experts offer a wide range of services in the field of designing new chemical compounds based on computer methods, the use of which is dictated by the specificity of the modeled properties, as well as the availability of information based on which predictions can be made. In addition, the QSAR Lab offer includes a special approach dedicated to medicinal substances and nanomaterials.

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