Full Packages

Pharmacelera develops proprietary cutting-edge technology for Computer- Aided Drug Design. Our drug discovery software and methods use an innovative, differential and accurate description of chemical entities. Such unique and superior description of molecules can be used to explore and mine a richer chemical space. Drug Discovery programs can benefit from our approach, leading towards broad chemical diversity.

We have developed two standalone tools, PharmScreen (virtual screening tool using 3D molecular descriptors) and PharmQSAR (automatic tool for 3D QSAR models), providing flexible software licensing options.

  • PharmScreen®: State-of-the-art Virtual Screening tool using 3D molecular descriptors. Learn more
  • PharmQSAR: Automatic tool for 3D QSAR models generation using experimental data. Learn more


Modules & Open-Source

Are you using Scientific Workflow Systems such as KNIME? Check out our modules and find out how to easily combine our methods with other third-party programs.

At Pharmacelera, we also contribute to the open-source community. We have developed several software tools that can be freely used by the scientific community.

Learn more about our software tools and solutions, and find out how we can help you.


  • Modules: Easy integration of our technology in existing workflows. Learn more
  • Open Source: Software tools development using RDKit. Learn more