2nd French-Israeli Workshop on Chemoinformatics
February 13-14, 2020, Strasbourg, France

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
Chairperson Alexandre VARNEK

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
Chairperson Inbal TUVI-ARAD

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

Chairperson Hanoch SENDEROWITZ

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
Chairperson Jürgen BAJORATH

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