EFMC² - Computational Chemistry Initiative

The EFMC² - Computational Chemistry Initiative aims to:

  • 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?

EFMC² Tandem Talks

EFMC² Tandem Talks are a webinar series jointly organised by the EFMC and the EFMC Computational Chemistry Initiative (EFMC²), designed to give you real life insights into how medicinal and computational chemists can drive projects together. The tandem talks feature a balanced perspective from both sides. In this online seminar and discussion format, you can hear about case studies where collaboration between the disciplines was key and discuss what makes the essence of successful MedChem-CompChem interaction now and in the future.

The ample opportunity to engage and discuss with our speakers sets these webinars apart. Register and learn not only about great science but also which ways of collaborating were key to success.


  • Franz von Nussbaum, Nuvisan, Germany (Chair)
  • Clara Christ, Bayer, Germany (co-chair)
  • Richard Lewis, Novartis, Switzerland (co-chair)
  • Xavier Barril, Barcelona University, Spain
  • Pia Bartos, University of Eastern Finland, Finland (YSN)
  • Andreas Bender, University Cambridge, United Kingdom
  • Hayley Binch, Roche, Basel, Switzerland
  • Nathan Brown, Healx, United Kingdom
  • Zoe Cournia, Academy of Athens, Greece
  • Marco De Vivo, Istituto Italiano di Tecnologia (ITT), Italy
  • Gerhard Hessler, Sanofi, Germany
  • Klaus Liedl, University of Innsbruck, Austria
  • Martin Missbach, Novartis, Switzerland (EC Sponsor)
  • Ina Terstiege, AstraZeneca, Sweden
  • Zara Sands, Lilly, USA