Program


    Strasbourg Summer School - Strasbourg, France, 27th June to 1st July 2016

    Monday 27 June

    9:00 - 17:00 Preconference session “Introduction into Chemoinformatics” Materials
    16:00-18:00 Registration
    18:00 - 18:10 Opening
    18:10 - 19:10 Robert Glen (University of Cambridge, UK) Opening lecture From target validation to human studies : compound optimisation strategies abstract slides
    19:15 - 21:00 Welcome Party

    Tuesday 28 June

    9:00 - 9:40 Johann Gasteiger (University of Erlangen, Germany) Explorations into Chemical Reactions and Biochemical Pathways abstract slides
    9:40 - 10:20 Richard Lewis (Novartis, Basel, Switzerland) Building compound archives for the future abstract slides
    10:20 - 10:40 coffee break
    10:40 - 11:20 Jürgen Bajorath (University of Bonn, Germany) Analyzing Promiscuity at the Level of Active Compounds and Targets abstract slides
    11:20 - 12:00 Kimito Funatsu (University of Tokyo, Japan) Soft Sensor : Chemoinfomatic Model for Efficient Control and Operation in Chemical Plants abstract slides
    12:00-14:00 Lunch
    14:00 - 14:20 Sharon D. Bryant (Inte:Ligand GmbH, Austria) 3D-Chemical Feature Based Pharmacophores : Essential Tools for Early Drug Discovery Research abstract slides
    14:20 - 14:40 Daniel Alvarez-Garcia, (Discngine, France) Mining structural knowledge space for target profiling abstract slides
    14:40 - 15:00 Marc C. Nicklaus (Naional Cancer Institute, USA) Tautomerism Databases abstract slides
    15:00 - 17:00 Gilles Marcou (University of Strasbourg, France) Tutorial 1
    17:00 - 19:00 Poster session Beer & Bretzel

    Wednesday 29 June

    9:00 - 9:40 Alex Tropsha (University of North Carolina, Chapel-Hill, USA) Computational Toxicology : Alarms about Chemical Alerts abstract slides
    9:40 - 10:20 Christoph Sotriffer (University of Wuerzburg, Germany) Empirical scoring functions for affinity prediction of protein-ligand complexes abstract slides
    10:20 - 10:40 coffee break
    10:40 - 11:20 Gisbert Schneider (ETH, Zürich, Switzerland) Adaptive Molecular Design – Learning from Data abstract slides
    11:20 - 12:00 Matthias Rarey (University of Hamburg, Germany) Computational Methods for Knowledge Extraction from Large Protein Structure Collections abstract slides
    12:00-14:00 Lunch
    14:00 - 14:20 David Rinaldo (Schrödinger GmbH, Germany) Diverse applications of free energy calculations in drug discovery abstract slides
    14:20 - 14:40 Timur Madzhidov (Kazan Federal University, Russia) Assessment of optimal reaction conditions : deprotection in catalytic hydrogenation conditions abstract slides
    14:40 - 15:00 Alban Lepailleur (University of Caen Basse-Normandie, France) Emerging patterns mining and automated detection of contrasting chemical features abstract slides
    15:00 - 17:00 Esther Kellenberger (University of Strasbourg, France) Tutorial 2
    17:00 - 19:00 Beer & Bretzel

    Thursday 30 June

    9:00 - 9:40 Thierry Langer (University of Vienna, Austria) Feature-based 3D Pharmacophores : The Current and The Future abstract slides
    9:40 - 10:20 Artem Cherkasov (University of Vancouver, Canada) A Cheminformatics Story Behind 141,000,000$ Molecule abstract slides
    10:20 - 10:40 coffee break
    10:40 - 11:20 Kenneth Merz (Michigan State University, USA) Rapid Computation of Thermodynamic Quantities for Molecular Recognition Processes abstract slides
    11:20 - 12:00 Hanoch Senderovicz (Bar Ilan University, Israel ) Material Informatics : Statistical Modeling in Material Sciences abstract slides
    12:00-14:00 Lunch
    14:00 - 19:00 Cultural Program
    19:00 - 21:00 Conference Dinner

    Friday 1 July

    9:00 - 9:40 Pascal Bonnet (University of Orleans, France) Challenges and Successes in Using In Silico Tools in Kinase Research abstract slides
    9:40 - 10:20 Marco Cecchini (University of Strasbourg, France) Computational Approaches to the Chemical Equilibrium Constant in Protein-Ligand Binding abstract slides
    10:20 - 10:40 coffee break
    10:40 - 11:20 Igor Tetko (Helmholz Institute, Neuherberg, Germany) Challenges and Opportunities for Big Data Analysis in Chemistry abstract slides
    11:20 - 12:00 Vladimir Poroikov (Russian Academy of Sciences, Moscow, Russia) Drug Repurposing : New Uses for Old Drugs or Systems Biomedicine ? abstract slides
    12:00-14:00 Closure

    Note for the members of the FSCi (French Society of Chemoinformatics) : the great assembly (AG) will take place the Wednesday 29/06/2016 between 5pm and 6pm, after the tutorials. It will be located in the amphitheater used for the school.