A Global Meeting for a Safer World 12 - 16 September 2022

The complete 2022 program with abstracts, speaker and chair bios, poster presentations, and more will be available after our final submission deadline of 31 August 2022. 

Organizing Group: 

Yayoi Natsume (NIB, Japan), Ugis Sarkans (EBI), Paul Jennings (VUA), Tatyana Doktorova (EwC), Paula Braun (PSCI), Huixiao Hong (FDA), Pranika Singh (EwC), Barry Hardy (EwC),  Alessandro Contini (Università Degli Studi Di Milano), Harvey Clewell (Ramboll), Elisa Moschini (LIST), Alexander Tropsha (University of North Carolina),  Roland Grafström (Karolinska Institute), Marcel Leist (University of Konstanz),  Wojtek Plonka (Fujitsu), Gerhard Ecker (University of Vienna), Fred Klaessig (Pennsylvania Bio Nano Systems)

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OpenTox 2022 Program

Open Science in Action

All times in Central European Summer Time (CEST)

12 September 2022

13.00 Session 1. Open Data Resources

• 13:00-13:05 Chair: Yayoi Natsume (NIB, Japan)

• 13:05-13:40  Egon Willighagen (Maastricht University), Open, FAIR, and used: toxicology in the next 10 years

• 13:40-14:00 Talk: Wojtek Plonka (Fujitsu), Can bad structures yield good models? The issues of validation, repair, and standardization of chemical structures in merging data from multiple sources.

• 14:00-14:20 Talk: Yayoi Natsume (NIB, Japan), Inference of mechanisms of toxicity from omics data

• 14:20-14:40: Anna Maria Masci (NIEHS), ToxBioBridge: an ontological approach for toxicological assays

• 14:40-15:00 Discussion

15.00 Session 2. Open and FAIR Toxicological Data and Knowledge

• 15:00-15:05 Chair: Ugis Sarkans (EBI)

• 15:05-15:25 Talk: Ugis Sarkans (EBI), The EU-ToxRisk Database: available data and incorporation in applications

• 15:25-15:45 Talk: Daniel Burgwinkel (Edelweiss Connect), Integration of Knowledge Graphs in Trusted FAIR Knowledge Infrastructure

• 15:45-16:05 Talk: Philippe Rocca-Serra (University of Oxford), FAIR data in PrecisionTox 

• 16:05-16:25 Talk: Joerg Marusczyk (Molecular Networks), Role of meta information in the ONTOX-COSMOS knowledge hub

• 16:05-16:30 Discussion

17.00 Session 3.  Benchmarking induced Pluripotent Stem Cell differentiation for the development of integrated testing strategies

• 17:00-17:05 Chair: Paul Jennings (Free University of Amsterdam)

• 17:05-17:25 Talk: Paul Jennings  (Free University of Amsterdam), Effects of aminoglycosides (gentamicin/tobramycin) in different renal proximal tubular cell models (primary, PTL, RPTEC/TERT1, HK2)

• 17:25-17:45 Talk: Anja Wilmes (Free University of Amsterdam),Temporal transcriptomics analysis of iPSC-derived renal cells treated with amiodarone, doxorubicin, sodium arsenate, rotenone and tunicamycin

• 17:45-18:05 Talk: Richard Davis (Leiden University Medical Center), Improved compound response prediction with scalable 3D human iPSC-derived cardiac microtissues

• 18:05- 18:45 Cell Culture Poster Talks: Dayan Guerra Flórez (Universidad CES), Skin and ocular co-culture models for in-vitro toxicity assessment & Angie Castro (Universidad CES), Spheroids production for toxicology evaluation of chemical substances

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13 September 2022

13.00 Session 4. Computational Modelling

• 13:00-13:05 Chair: Alessandro Contini (Università Degli Studi Di Milano)

• 13:05-13:25 Talk: Alessandro Di Domizio (SPILLOproject), discovering target proteins of xenobiotics through 3D identification of their (hidden) binding sites and experimental validations

• 13:25-13:45 Talk: Minjun Chen (US FDA), Predictive DILI models

• 13:45-14:05 Talk: Carolina Horta Andrade (Universidade Federal de Goiás), QSAR Applications to Toxicological Research and Risk Assessment

• 14:05-14:30 Discussion

15.00 Session 5. PBPK and Toxicokinetics Modeling

• 15:00-15:05 Chair: Harvey Clewell (Ramboll)

• 15:05-15:35 Talk: Periklis Tsiros ( NTUA), A new method for grouping and estimating PBPK model parameters using genetic algorithms

• 15:35-16:05 Talk: Barira Islam (Certara), Use of biokinetic and PBPK modeling for toxicological assessment by NAMs

• 16:05-16:35 Talk: Harvey Clewell (Ramboll), Application of Open-Source, Next Generation Physiologically Based Kinetic (NG-PBK) Models for In Vitro to In Vivo Extrapolation of Toxicity Assays

• 16:35-17:00 Discussion

17.00 Session 6.  NAMs-enabled Risk Assessment

• 17:00-17:05 Chair: Barry Hardy (Edelweiss Connect)

• 17:05-17:25 Talk: Thomas Hartung (Johns Hopkins), Toward probabilistic risk assessment – the ONTOX project

• 17:25-17:45 Talk: Vittorio Fortino (University of Eastern Finland), Identifying and prioritizing compounds with endocrine disruption potential

• 17:45-18:05 Talk: Jonathan Freedman (ASPIS), Progress and challenges on collaboration and data management resource development supporting NGRA

• 18:05 - 18:25 Talk: Marvin Martens (Maastricht University), Molecular Adverse Outcome Pathways: towards the implementation of transcriptomics data in risk assessments

• 18:25-18:50 Discussion

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14 September 2022

13.00 Session 7. NAMS and IATAs

• 13:00-13:05 Chair: Tatyana Doktorova (Edelweiss Connect)

• 13:05-13:25 Talk: Chun-Wei Tung (National Health Research Institutes, Taiwan), Integrating complementary methods for toxicity prediction

• 13:25-13:45 Talk: Dawei Tang (Unilever), Review of Models supporting Next Generation Risk Assessment activities at Unilever

• 13:45- 14:05 Talk: Laura Furlong (MedBioinformatics Solutions), Network-based approaches to support translational risk assessment

• 14:05-14:30 Discussion

15.00 Session 8. In vitro-based NAMs Innovation

• 15:00-15:05 Chair: Elisa Moschini (LIST)

• 15:05-15:25 Talk: Shareen H. Doak (Swansea University), Implementing NAMs in nanomaterial safety science to promote regulatory change.

• 15:25-15:45 Talk: Angela Kämpfer (Leibniz Research Institute for Environmental Medicine)

• 15:45-16:05 Talk: Patrik Lundquist (Uppsala University), In vitro determination of metabolism and permeability to predict human oral exposure

• 16:05-16:25 Talk: Arantza Muriana (Biobide), Validation of zebrafish embryotoxicity test (ZET) as a qualified alternative assay for its regulatory use

• 16:25-16:45 Talk: Yuseok Moon (Pusan National University), MiRNA Target-based Network Prediction of Androgen Receptor-responsive Adverse Outcome of Mycotoxin Stress

• 16:45-17:00 Discussion

17.00 Session 9. Mechanism-based genotoxicity risk assessment

• 17:00-17:05 Chair: Paula Braun (PSCI)
• 17:05-17:25 Talk: Paul Fowler (FSTox Consulting), Introduction to Genotoxicity testing and the utility of mechanistic investigations in regulatory decision making?
• 17:25-17:45 Talk: Jesse Salk (TwinStrand), Next generation techniques and genotoxicity/carcinogenicity prediction by error corrected NGS
• 17:45-18:05 Talk: Giel Hendriks (Toxys), Applications of the ToxTracker assay to investigate the mode-of-action of genotoxic compounds
• 18:05- 18:25 Talk: Anouck Thienpont (Sciensano / Vrije Universiteit Brussel), The evaluation of genotoxicity by using novel prediction models based on biomarker genes in human HepaRG cells
• 18:25-18:50 Discussion

15 September 2022

13.00 Session 10.  Application of New Approach Methods in Regulatory Science 

• 13:00-13:05 Chair: Huixiao Hong (US FDA)
• 13:05-13:25 Talk: Kamel Mansouri (NIH/NIEHS), OPERA models for regulatory purposes 
• 13:25-13:45 Talk: Ruili Huang (NIH/NCATS), Application of Tox21 data in toxicity prediction
• 13:45-14:10 Discussion

15.00 Session 11. Application of New Approach Methods in Industry 

• 15:00-15:05 Chair: Alexander Tropsha (University of North Carolina)

• 15:05-15:25 Talk: David Rouquie (Bayer), Emerging multi-stakeholder collaboration to cell painting supporting NGRA goals

• 15:25-15:45 Talk: Tomaz Mohoric (Edelweiss Connect), SaferSkin Case Studies comparing results from IATAs and Defined Approaches including the OECD 497 guidance

• 15:45-16:05 Talk:  Beren Atac (TissUse), Biology-inspired Microphysiological Systems to Advance Patient Benefit and Animal Welfare in Drug Development

• 16:05-16:30 Discussion

17.00 Session 12. Toxicogenomics

• 17:00-17:05 Chair: Roland Grafström (Karolinska Institute)

• 17:05-17:25 Talk: Roland Grafström (Karolinska Institute), New Developments with the Predictive Toxicogenomics Space (PTGS) Modeling Tool

• 17:25-17:45 Talk: Steven J. Kunnen (University of Leiden), TXG-MAPr tools: gene co-expression network analysis linked to histopathology provides quantitative mode-of-action assessment and prediction of drug-induced toxicity

• 17:45-18:05 Talk: Bryant Chambers (US EPA), Searching for LINCS to Stress: literature-linked transcriptomic analysis identifies stress response active chemical targets, MoAs, and use classes

• 18:05-18:30 Discussion

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16 September 2022

11:00-11:30 Keynote Talk: Lucian Farcal (EC JRC), Safe and sustainable by design chemicals and materials - a framework for the definition of SSbD criteria

 13.00 Session 14. Machine Learning/AI Applications

• 13:00-13:05 Chair: Wojtek Plonka (Fujitsu)

• 13:05 -13:25 Talk: Swapnil Chavan (RISE), AI-TOX: An end-to-end Solution for Automating Predictive Toxicology by AI

• 13:25-13:50 Discussion

 15.00 Session 15. Toxicokinetics (Part 2)

• 15:00-15:05 Chair: Harvey Clewell (Ramboll)

• 15:05-15:25 Talk: Alicia Paini (ESQLabs), Open Access, Open Source, Open Science - leveraging synergies for Modeling and Simulation in toxicology

• 15:25-15:45 Talk: John Wambaugh (EPA), PBPK and Toxicokinetics Modeling

• 15:45-16:05 Talk: Caroline Ring (EPA), Monte Carlo for uncertainty and variability simulation in high-throughput toxicokinetic modeling

• 16:05-16:30 Discussion

 17.00 Session 16. Nanotechnology Informatics and Modelling

• 17:00-17:05 Chair: Fred Klaessig (Pennsylvania Bio Nano Systems)

• 17:05-17:25 Talk: Nastassja Lewinski (Virginia Commonwealth University), Automating systematic reviews on engineered nanoparticles

• 17:25-17:45 Talk: Antreas Afantitis (NovaMechanics), Isalos Analytics Platform: A Machine Learning / Artificial Intelligence Zero Code Platform for Cheminformatics & NanoInformatics Modelling

• 17:45-18:05 Talk: Barry Hardy (Edelweiss Connect), NanoCommons as a sustainable deployed knowledge infrastructure within the European Open Science Cloud

• 18:05-18:30 Discussion