The program includes plenary lectures, poster session, oral presentations and hands-on tutorials. It covers the following topics :
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Jürgen BAJORATH
(University of Bonn, Germany) |
Evaluating Progress in Lead Optimization |
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Artem CHERKASOV
(University of British Columbia, Canada) |
Deep Docking – a DNN Enabled Approach for Virtual Screening and its Application for COVID-19 Drug Discovery |
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Ola ENGKVIST
(ASTRAZENECA, Gothenburg, Sweden) Cancelled |
AI in drug discovery an industrial perspective |
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Alex TROPSHA
(University of North Carolina, USA) |
Biomedical Big Data Analytics : From Knowledge Graphs to de novo Drug Discovery |
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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) |
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Matthias RAREY
(University of Hamburg, Germany) |
SMARTS.plus Supporting Chemical Pattern Design |
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Christoph SOTRIFFER
(University of Wuerzburg, Germany) |
Simulation-driven model builing : Towards prediction of site-specific bioconjugation |
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Johannes KIRCHMAIR
(University of Vienna, Austria) |
Chemoinformatics in Natural Product-Based Drug Discovery |
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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) |
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Hanoch SENDEROWITZ
(Bar Ilan University, Israel) |
Materials Informatics : The marriage of data and materials sciences |
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Artem OGANOV
(Skolkovo Institute of Science and Technology, Russia) |
Computational materials discovery guided by artificial intelligence (download pdf) |
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Thierry LANGER
(University of Vienna, Austria) |
A Computational Approach to Identify Potential Novel Inhibitors Against The Coronavirus SARS-CoV-2 |
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Olivier TABOUREAU
(Paris Diderot University, France) |
Network Sciences applied in pharmacology |