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
(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 |
|
| Artem CHERKASOV (University of British Columbia, Canada) | Deep Docking – a DNN Enabled Approach for Virtual Screening and its Application for COVID-19 Drug Discovery |
| Ola ENGKVIST (ASTRAZENECA, Gothenburg, Sweden) Cancelled | 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 |
| José L. MEDINA-FRANCO (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) | SMARTS.plus 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 |
|
| Hanoch SENDEROWITZ (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 |