24 - 28 July 2023; 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)
Program
Monday 24 July
- 13.00-13.45 Barry Hardy (Edelweiss Connect), OpenToxAI - A Perspective and Open Framework for Application of AI in Toxicology and Risk Assessment
- 13.45-16.00 Asmaa Ali Abdelwahab (Edelweiss Connect), Recent Advances in the Applications of Artificial Intelligence for Enhancing Chemical Risk Assessment
- 16.15-18.00 Igor Tetko (Helmholtz Munich and BIGCHEM GmbH), Development of QSAR/QSPR models using representation learning and descriptor based methods using openOCHEM. Which ones are better?
Tuesday 25 July
- 13.30-15.00 Wojtek Plonka (Fujitsu), Preprocessing chemical structures in Google Colab
- 15.00 - 16.30 Wojtek Plonka (Fujitsu), Building Structure-Activity Relationship models in Google Colab
- 16.30-18.00 Takis Kolokathis (NovaMechanics), Nanoinformatics models and tools available through Enalos Cloud Platform and nanoPharos Database
Wednesday 26 July
- 14.00 - 15.00 Nynke Kramer (Wageningen University), Application of toxicokinetics in extrapolating in vitro new approach method data to in vivo using open source online tools
- 15.00 - 16.30 Caroline Ring (US EPA), Theory, Practice, and Exercises in Toxicokinetics
- 16.30-17.30 Stephan Schaller (esqLABS), Incorporating chemical-specific metabolism pathways into an open-source PBPK model using PK-Sim
- 17.30-18.30 Conrad Housand (Vividion Therapeutics), Incorporating chemical-specific metabolism pathways into an open-source PBPK model using Magnolia
Thursday 27 July
- 15.00-16.00 Aswani Unnikrishnan (Inotiv), Application of Integrated Chemical Environment tools in Predictive Toxicology
- 16.00-17.00 Agnes Karmaus (Syngenta), Data Retrieval supporting Predictive Toxicology
- 17.15-18.45 Ruili Huang (NIH/NCATS), Predictive Modeling based on Tox21 data
Friday 28 July
- 13.00-15.00 Hyun Kil Shin (Korea Institute of Toxicology), Preparation, Conversion, and Use of Chemical Structures supporting Search and Modelling in Python
- 15.00-16.30 Kabiruddin Khan (Edelweiss Connect), Application of Cross-Species Sensitivity Distribution Models in Risk Assessment
Monday 31 July
Discussion Sessions
7 – 11 August 2023
In these sessions, groups will discuss the results obtained from pursuing exercises and the use of methods, models, and tools presented during the main summer school program.
Monday 7 August
- 15.00-16.00 Exercises/Discussion Session facilitated by Igor Tetko (Helmholtz Munich and BIGCHEM GmbH)
Tuesday 8 August
- 15.00-16.00 Exercises/Discussion Session facilitated by Wojtek Plonka (Fujitsu)
Wednesday 9 August
- 15.00-16.00 Exercises/Discussion Session facilitated by Harvey Clewell (Ramboll)
Thursday 10 August
- 15.00-16.00 Exercises/Discussion Session facilitated by Agnes Karmaus (Syngenta)
Hackathon
- OpenToxAI Hackathon running 14-18 August, daily from 14-18 CEST