All Times in CEST (e.g.13.30 CEST = 7.30 am New York, 12.30 pm London, 5 pm Mumbai, 10.30 pm Tokyo)
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Program
Monday 26 August
- 13.00 FAIR Data Management, Anastasios Papadiamantis (Entelos)
- 15.00 A Data Onramp for Toxicology, Thomas Luechtefeld (Insilica)
- 17.00 QSAR (eco)toxicological modelling for regulatory purposes: theoretical background and practical demonstration, José Luis Vallés Pardo (ProtoQSAR)
Tuesday 27 August
- 13.00 From Tox21, ToxCast and Kaggle solubility to Tox24 Challenge: tips and tricks how to achieve state of the art results for prediction of chemical properties, Igor Tetko (Helmholtz Munich and BIGCHEM GmbH)
- 15.00 Application of Tox21 data in target identification, Ruili Huang (NIH/NCATS)
- 17.00 An Integrated Approach for toxicophore identification and characterization, Daniel Ukaegbu (Edelweiss Connect)
Wednesday 28 August
- 13.00 Streamlining Toxicological Assessments: Automated Access to Adverse Outcome Pathways with VHP4Safety Tools, Marvin Martens (University of Maastricht)
- 15.00 Application of toxicokinetics in extrapolating in vitro new approach method data to in vivo using open-source online tools, Nynke Kramer (Wageningen University)
- 17.00 How to set up and use Python machine learning environment for machine learning in chemistry/drug design at the privacy of your own computer, Wojtek Plonka (Fujitsu)
Thursday 29 August
- 13.00 Application of Knowledge Graphs and AI in Risk Assessment, Asmaa Ali Abdelwahab and Daniel Burgwinkel (Edelweiss Connect)
- 15.00 Materials’ Toxicity Investigation using the freely accessible tools of Enalos Cloud Platform, Panagiotis D. Kolokathis (NovaMechanics)
- 17.00 StopTox: In Silico NAM for Acute Systemic and Topical Toxicity, Eugene Muratov (University of North Carolina)
Friday 30 August
- 13.00 Integrated Chemical Environment (ICE): supporting NAM-based chemical assessments, Aswani Unnikrishnan (Inotiv)
- 14.00 Data Retrieval supporting Predictive Toxicology, Agnes Karmaus (Syngenta)
- 16.00 Participant Presentations and Feedback on Summer School Activities and Exercises
- 16.30 Final Wrap up Session with Awards and Recognition of Contributions from Presenters and Participants