Improving the efficiency of early drug development

In the early drug development, chemists typically screen 20 to 50 related compounds for their on-target effect using bio-assays.

Researchers often use QSAR methods for discovering relations between bioactivity and the chemical structure of the compounds, trying to find solutions on to how to modify the compounds for further activity improvement.

Only in later stages of drug development the compounds are screened for toxicity.

The QSTAR consortium aims to add transcriptomics data to the process.

We develop methods for data integration of chemical structures, bio-activity and gene expression.

This allows for early detection of potential toxic effects. The new methods may also aid chemists with their decisions on how to change the chemical structure of compounds.

Data-integration of several data sources helps to extract important information, improving the efficiency of early drug development.