- Strengthen the EFMC modelling/digital/informatics community in Europe
- Advocate on digital techniques across Europe
- Connect Industry & Academic
Integrated in the EFMC's fields of expertise, such as medicinal chemistry and chemical biology, the EFMC² will work towards better defining the scope of computation chemistry, better uniting the various communities, and follow the evolution of this scientific discipline.
Their work will articulate around various topics:
- Retrosynthesis
- What can these tools be used for?
- What are the possible advances to be made?
- Computational-related Case Studies
- How can in silico methods aid project teams?
- Digital in the Lab (AI/Digital-LabInterface)
- How do digitally enabled project teams work (socially, design meetings)?
- Digital in the lab
- Crystal structure prediction
- Can predictions of crystal structures help with solubility issues?
- What is available to project teams?
- Modelling of in vivo/ex vivo assays
- What is the state of the art? What is a reliable model?
- Generative Chemistry in Drug Discovery
- What is real and what is hype?
