Computational design and discovery of molecules and materials relies on the exploration of increasingly growing chemical spaces. The discovery and formulation of new drugs, antivirals, antibiotics, catalysts, battery materials, and in general chemicals with tailored properties, require a fundamental paradigm shift to search in unchartered swaths of the vast chemical space. This is in stark contrast to current approaches, which start from (commercially available) libraries of compounds from various suppliers.
In DISCOVERER, I finished the development of a “Chemical Space Machine” that can explore compositional and configurational spaces of molecular properties for multiple use-cases in chemical discovery scenarios. DISCOVERER’s main goal was to finalize the development of a commercial alpha version of “Chemical Space Machine” and setting up its commercialisation strategy. The PoC project advanced "Chemical Space Machine" from a Technology Readiness Level of 3 to 4.
In addition, I carried out a systematic market research to identify potential clients and competitors. A spin-off company was founded by my collagues (Quastify GmbH), where I act as one of the co-founders. Quastify has applied for the EIC Transition to fund its activities towards TRL level 5/6.
