The program includes plenary lectures, poster session, oral presentations and hands-on tutorials. It covers the following topics :

  • Big Data in chemistry
  • Material Informatics
  • Machine-Learning methods
  • Virtual screening techniques
  • In silico pharmacology
Chemoinformatics Strasbourg Summer School
(Université de Strasbourg, 25 - 29 juin 2018)

Monday 25 June

14:00-17:00 Registration  
9:00-17:00 Preconference session “Introduction into Chemoinformatics”  
16:45-17:00 Opening  
17:00-18:00 Jean-Pierre SAUVAGE From interlocking and knotted rings to molecular machines
18:00-19:45 Welcome Party  

Tuesday 26 June

9:00-9:40 Jürgen BAJORATH Emerging Big Data : Chemoinformatics-Driven View of Kinase Drug Discovery abstract slides
9:40-10:20 Ola ENGKVIST Machine Learning in Drug Discovery ; An Industry Perspective abstract slides
10:20-10:40 coffee break
10:40-11:20 Xavier MORELLI Integrated Strategy for Lead Optimization based on fragment growing : The DOTS (Diversity Oriented Target-focused Synthesis) approach abstract slides
11:20-12:00 Giulio RASTELLI Exploring polypharmacology from a protein structure perspective abstract slides
12:00-14:00 Lunch
14:00-15:00 Oral presentations
15:00-17:00 Tutorial 1 – Gilles MARCOU Data visualization, analysis and modeling using Generated Topographic Mapping
17:00-19:00 Poster session Beer & Bretzel

Wednesday 27 June

9:00-9:40 Alex Tropsha Drug Repurposing and Adverse Effect Prediction using Social Media/Text Mining abstract slides
9:40-10:20 Matthias RAREY Computational Methods for Cheminformatics and Structure-Based Design abstract slides
10:20-10:40 coffee break
10:40-11:20 Christoph SOTRIFFER Covalent ligands : Challenges and approaches for docking and design abstract slides
11:20-12:00 Kimito FUNATSU De novo structure generation using inverse QSAR approach abstract slides
12:00-14:00 Lunch
14:00-15:00 Oral presentations
15:00-17:00 Tutorial 2 – Esther KELLENBERGER Consensus binding motif applied to fragment docking
17:00-19:00   Beer & Knack

Thursday 28 June

9:00-9:40 Gisbert SCHNEIDER Artificially-intelligent drug design abstract slides
9:40-10:20 Artem CHERKASOV Cheminformatics driven development of novel therapies for drug resistant prostate cancer abstract slides
10:20-10:40 coffee break
10:40-12:00 Oral presentations
12:00-14:00 Lunch
15:00-19:00 Cultural Program
19:00 Conference Dinner

Friday 29 June

9:00-9:40 Hanoch SENDEROVICZ Molecular Dynamics Simulations : Theory and Applications in Drug Design abstract slides
9:40-10:20 Igor TETKO The best practices of multilearning for (Big) data analysis abstract slides
10:20-10:40 coffee break
10:40-11:20 Igor BASKIN Deep learning : What makes neural networks great again ? abstract slides
11:20-12:00 Thierry LANGER Adventures in Computer-Assisted Molecular Design abstract slides
12:00 Closure