Chemistry informatics/in-silico methods create the basis for clear decisions. The results are based on experimental raw data and statistical methods.



We use computer based methods (structure property and structure activity relationships such as QSAR) for the evaluation of properties of chemicals and pharmaceuticals.


By means of computer based modules it is currently possible to calculate physico-chemical, toxicological and environmentally relevant parameters based on the structure of a chemical. The quality of the results depends on the type of software used, the models used in the software and the underlying experimental data. Expertise from the experimental side and from the side of the chemistry informatics is indispensable for a resilient evaluation of the results of computer based methods. Precisely this combination of expertise in the experimental sector and the chemistry informatics distinguish EDC.


The confidence is additionally increased with the usage of various software and models. We therefore do not develop our own software, but rather use software which is available on the market and accepted by the approval and licensing authorities, too. Thus we are independent and can use the respectively suitable software for the particular question. However, we can also enlarge, adapt, and develop additional modules based on our or customers own experimental data, whose data basis and explanatory power are known to us. Such modules can be tailored according to customers' needs. This additionally increases the quality ("Test battery of the second type"). Several modules are currently available for the same parameters ("Test battery of the first type"). This allows for an increase in confidence.


We can also create such modules for applications, which are based on specific questions and/or data records of our customers.


We carry out experimental testing of selected parameters with designated cooperation partners such as the Department of Environmental Health Sciences of the University Medical Centre Freiburg and others.


© EDC Chemical Consulting | Fri, January 21st, 2022