Evaluation of chemicals and pharmaceuticals
Fast, early screening and evaluation of substances reduces risks and costs and at the same time allows time savings in planning processes. This applies to questions of evaluation of existing substances and products, their optimization or new development, including the starting and auxiliary materials required in processes, but also the resulting waste materials and undesirable accompanying substances.With the help of computer-based models, EDC can close such gaps quickly and inexpensively in the required quality.
Data like
- physical chemical properties
- human toxicity and ecotoxicity
- environmental behavior
are often incomplete or non-existent for the approval, marketing and use of drugs and chemicals or the assessment of risks from these substances in products or the environment or indoors.
For legislative substance evaluation
- the registration and authorization of chemical substances under REACH at the European Chemicals Agency (ECHA) U.S. Food and Drug Administration (U.S. FDA) and pharmaceuticals at the European Medicines Agency (EMA) or the U.S. FDA
- the assessment of impurities in pharmaceuticals (e.g. according to ICH M7 Guideline "Assessment and control of DNA reactive (mutagenic) impurities in pharmaceuticals to limit potential carcinogenic risk)
- the assessment of the environmental fate of pharmaceuticals
- the assessment of contaminants in drinking water (e.g. according to the health orientation value (GOW)), groundwater, surface water and wastewater
- the assessment of pollutants in and from contaminated sites
For internal issues
- the selection of suitable chemicals for purchasing decisions
- identification of suitable substances for substitution of other substances including product components in chemical mixtures
- the prioritization of experimental investigations
- the targeted modification and optimization of lead structures of already known substances and drugs ("re-design")
- the targeted de novo synthesis ("de novo design")