Thematic meeting: Excellence in Molecular Design


Thank you all for your participation !

This One-Day thematic meeting, co-organized by the Société de Chimie Thérapeutique (SCT), Evotec and Institut Pasteur, has covered outstanding innovation and applied state-of-the-art molecular design contributing to advance drug discovery boundaries. Selected themes of the Symposium were dedicated to “breakthrough” discoveries or innovative technologies/methods and included the application of machine learning (ML) and artificial intelligence (AI).

Date & Location

  • Tuesday , 14th March 2023. 9 am - 5 pm
  • Amphitheater Duclaux, Institut Pasteur, 28 Rue du Docteur Roux, 75015 Paris, France


8:40 Welcome at Amphitheater Duclaux

  • 9:10 am Welcome addresses

Dr Jean-Yves Ortholand - President of the French Society for Medicinal Chemistry
Dr Gilbert Lassalle - SVP Head of Medicinal Chemistry France, Evotec
Dr Olivier Sperandio - Group Leader & Head of the iPPI-DB initiative, Institut Pasteur

  • 9:30 am Dr Christoph Grebner - Sanofi, Frankfurt, Germany

“Artificial intelligence and explainability in molecular design”

  • 10:00 am Dr Gilles Labesse - University of Montpellier, Montpellier, France

“Structure-Based and Integrative Design of B-Raf Inhibitors Devoid of Deleterious PXR Binding”

  • 10:30 am Coffee break and meet the partners/ participants at Centre François Jacob
  • 11:15 am Dr Fredrik Zetterberg – Galecto, Inc., Göteborg, Sweden

“Discovery of GB1211, the first orally available galectin-3 inhibitor to advance into clinical development as a potential treatment for cancer and fibrosis indications”

  • 11:45 am Andreas Luttens - 2022 winner of the Evotec Prize - University of Uppsala, Uppsala, Sweden

“Discovery of Enzyme Inhibitors through Virtual Screening of Vast Chemical Space”

  • 12:15 pm Lunch and meet the partners/ participants at Centre François Jacob
  • 1:45 pm Dr Quentin Perron, Co-founder & CSO - Iktos, Paris, France

“DockAI: Efficient Exploration of ultra-large chemical spaces using Active Learning”

  • 2:00 pm Dr Raquel Rodriguez Perez - Novartis, Bale, Switzerland

“Machine learning-based predictions of ADME properties in pharmaceutical industry”

  • 2:30 pm Dr Stefania Monteleone - Evotec, Abingdon, United Kingdom

“FMO-guided Identification of PPI Hotspots and Modulators”

  • 3:00 pm Coffee break and meet the partners/ participants at Centre François Jacob
  • 3:45 pm Dr Christophe Zimmer/Dr Bogdan Ciambur - Institut Pasteur, Paris, France

“Deep learning and imaging for antibiotic drug discovery”

  • 4:30 pm Dr Merveille Eguida - University of Strasbourg, Strasbourg, France

“Automated target-focused library design using subpocket similarity combined with generative chemistry”

Organizing committee


Gilbert Lassalle
SVP head of Medicinal Chemistry France

Christophe Boldron
VP head of Molecular Architects France


 Jean-Yves Ortholand
 President of the SCT

 Rebecca Deprez-Poulain
Past president of the SCT


Olivier Sperandio
Group Leader, Institut Pasteur & SCT

Emilie Boutet
Executive Scientific Division, SPAIS, Institut Pasteur