Program


    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 Applications of machine learning and artificial intelligence to designing chemicals and materials with the desired properties 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