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
    (University of Strasbourg, 29 June - 3 July 2020)

    Watch the lectures here !

    Monday 29 June

    Jürgen BAJORATH

    (University of Bonn, Germany)

    Evaluating Progress in Lead Optimization

    Tuesday 30 June


    (University of British Columbia, Canada)

    Deep Docking – a DNN Enabled Approach for Virtual Screening and its Application for COVID-19 Drug Discovery

    (ASTRAZENECA, Gothenburg, Sweden)


    AI in drug discovery an industrial perspective
    Alex TROPSHA

    (University of North Carolina, USA)

    Biomedical Big Data Analytics : From Knowledge Graphs to de novo Drug Discovery

    (National Autonomous University of Mexico, Mexico)

    StARs and constellations in chemical space : a visual representation of Structure-Activity Relationships (download pdf)

    Wednesday 1 July

    Matthias RAREY

    (University of Hamburg, Germany) Supporting Chemical Pattern Design
    Christoph SOTRIFFER

    (University of Wuerzburg, Germany)

    Simulation-driven model builing :
    Towards prediction of site-specific bioconjugation

    Thursday 2 July

    Johannes KIRCHMAIR

    (University of Vienna, Austria)

    Chemoinformatics in Natural Product-Based Drug Discovery
    Roger SAYLE

    (NextMove Software, UK)

    Automated mining of a database of 9.4M reactions from the patent literature, and its application to synthesis planning (download pdf)

    Friday 3 July


    (Bar Ilan University, Israel)

    Materials Informatics : The marriage of data and materials sciences
    Artem OGANOV

    (Skolkovo Institute of Science and Technology, Russia)

    Computational materials discovery guided by artificial intelligence (download pdf)
    Thierry LANGER

    (University of Vienna, Austria)

    A Computational Approach to Identify Potential Novel Inhibitors Against The Coronavirus SARS-CoV-2
    Olivier TABOUREAU

    (Paris Diderot University, France)

    Network Sciences applied in pharmacology