Organizing Committee
- Alexandre Varnek (UniStra, Strasbourg, France)
- Hanoch Senderowitz (BIU, Ramat-Gan, Israel)
Confirmed speakers
Hanoch Senderowitz (Bar-Ilan University, Ramat-Gan, Israel)
Inbal Tuvi-Arad (Open University of Israel, Raanana, Israel)
Omer Kaspi, (Bar-Ilan University, Ramat-Gan, Israel)
Jürgen Bajorath (University of Bonn, Germany)
Alexandre Varnek (University of Strasbourg, France)
Gilles Marcou (University of Strasbourg, France)
Dragos Horvath (University of Strasbourg, France)
Marco Cecchini (University of Strasbourg, France)
Roland Stote (University of Strasbourg, France)
Didier Rognan (University of Strasbourg, France)
Igor Baskin (Moscow State University, Russia)
Registration
Participation in the conference is free but requires registration.
Registration is now closed.
Conference venue
The workshop will be held at the European Doctoral College building in the central campus of the University of Strasbourg (46 Boulevard de la Victoire, 67000 Strasbourg).
Program
Thursday 13th February
| 13:30-14:00 | Opening | |
| | ||
| 14:00-14:30 | Hanoch SENDEROWITZ (University of Bar Ilan, Israel) | Computational tools for multi-target drug discovery |
| 14:30-15:00 | Didier ROGNAN (University of Strasbourg, France) | The art of preparing ligand datasets for virtual screening and machine learning |
| 15:00-15:30 | Marco CECCHINI (University of Strasbourg, France) | A novel approach for computing absolute ligand entropies in solution with applications in drug discovery |
| 15:30-16:00 | Inbal TUVI-ARAD (Open University of Israel, Raanana, Israel) | Measuring symmetry and Chirality –New Algorithms for Generic Structural Analysis |
| 16:00-16:30 | Coffee break | |
| | ||
| 16:30-17:00 | Igor BASKIN (Moscow State University, Russia) | Energy-Based Neural Networks in Chemoinformatics |
| 17:00-17:30 | Omer KASPI (Bar-Ilan University, Ramat-Gan, Israel) | Signal processing based algorithms in the use of Material Informatics |
Friday 14th February
| | ||
| 9:00-9:30 | Jürgen BAJORATH (University of Bonn, Germany) | Insights into Molecular Promiscuity through Large-Scale Data Analysis and Machine Learning |
| 9:30-10:00 | Gilles MARCOU (University of Strasbourg, France) | Exploration of the REACH chemical space |
| 10:00-10:30 | Alexandre VARNEK (University of Strasbourg, France) | Artificial Intelligence: the Future for Synthetic Chemistry? |
| 10:30-11:00 | Coffee break | |
| | ||
| 11:00-11:30 | Roland STOTE (University of Strasbourg, France) | Molecular Dynamics Simulation Studies of Nuclear Receptor Proteins |
| 11:30-12:00 | Dragos HORVATH (University of Strasbourg, France) | Mapping the Conformational Space of Docking Problems |
With the support of
