We use computer-based methods (including structural property relationships such as QSAR) to calculate the properties of chemicals and active pharmaceutical ingredients. All that is required is a structural formula. I.e. the synthesis of a molecule is not absolutely necessary for this.
The reliability of the results is further increased by the use of different software and models. We therefore do not develop any software ourselves, but use third-party software whose results are also accepted by regulatory authorities, for example. Therefore, we are independent and can use the most suitable software for the respective problem. However, we also develop our own models, whose data basis and informative value we therefore know. This additionally increases the quality. We can also create such models for specific questions based on data sets from our customers or from the literature.
For one and the same endpoint (e.g. mutagenicity, water solubility) several models within one software or models of different software are available. This allows to further increase the reliability of the results.
The decisive expertise lies in the evaluation of the results (quality, validity, application domain, etc.). EDC has gained experience in this area in various contexts for decades. Furthermore, EDC uses very high quality software.