INVITED EXPERTS

Maria Klapa (GR) Holly Mortensen (USA) Rahuman Sheriff (UK)  teEllen Hessel (NL)

Foundation for Research & Technology - Hellas [FORTH]

 

Fluxomics models, model standardization

US Environmental Protection Agency (EPA) & Duke University

 

Imperial College London 

 

Biomodels

RIVM 

 

Use Case 1 Neurodevelopment

The focus of this fifth workshop will be on systems toxicology models developed within the toxicology field and modelling tools used. That will include both mathematical models used for for instance QSAR and PBPK and more data-oriented models like molecular Adverse Outcome Pathway approaches (not so different from how we typically work with Reactome pathways). We want to evaluate how ELIXIR resources can be used for analysis and dissemination, deposition. Candidates to look at are for instance Copasi, Bio.Tools, BioModels, FAIRdom/Seek (for project level sharing), and RO-Crates. There will be preceding webinar about QSAR models and modelling tools and their current organisation like e.g. the PARC database.

 

TARGET AUDIENCE

This workshop is the fifth and last workshop of the INTOXICOM project designed for toxicology and systems biology bioinformatics researchers. 

 

When: Thursday 11 September, 10:30h  - Friday 12 September, 17h

Where: The Alex Hotel, Athens, Greece

Target audience: toxicologists, with affinity towards bioinformatics, systems biology modelling, (q)-AOPs, computational toxicology

Location: Alex Monte Kastella, Leof. Al. Papanastasiou 109, Piraeus (Peiraias) 185 33, (very close to Athens),  Greece

Recommended Hotels in Peiraias:  

We have organised a discount code for the Alex Monte Kastella and the Twinn Downtown Piraeus

  • Code: novamech
  • 12% off all prices and booking policies available on our website.
  • Stay Period: Any date.
  • Valid for: All room types.

Kindly note that Twinn Downtown Piraeus is located very close to the metro station, on the same line (blue line) as the EuroTox venue.

A taxi ride from Twinn Downtown Piraeus to The Alex Monte Kastella (location of this workshop!) takes approximately 8 minutes and costs between 4 and 8 euros. 

Other hotels at the City Centre of Peiraias, at booking.com can be found here

 

INTRODUCTORY WEBINAR

In preparation for the workshop, an introductory webinar will be held on Tuesday September 2nd, 11.00h-13.00h Amsterdam/CEST. 

Please see: https://elixir-europe.org/events/intoxicom-webinar-5 for more details.

 

EXTRA MATERIALS TO CHECK

  • add usefull links here

 

REGISTRATION TO THE WORKSHOP

Questions? Please let me know: Meike Bünger.

 

Draft PROGRAMME 

Thursday, September 11 

 

10:00 - 11:00 Registration with coffee / cookies / fruit
11:00 - 11.30 ELIXIR INTOXICOM & workshop ovreview [Rob Stierum & Karine Audouze]
11.30 - 12:00

Introduction to Case Study 1 on Neurodevelopment

-> Use Case-1 [Ellen Hessel (RIVM, NL)]

Overview: What is the main model you envision, what is the systems toxicology research question you like to answer, which data is available and in what format? Consider QSAR, qAOP, PBPK

12:00 -12:30

             

Introduction to Case Study 2 on Endocrine disruption 

-> Use Case-2 [Karine Audouze]

Overview: What is the main model you envision, what is the systems toxicology research question you like to answer? Which data is available and in what format? Consider QSAR, AOP, PBPK 

12.30-13.30                                 

Lunch 

13.30-14:45

Short Recap of webinar & ELIXIR Tools 

1: Biomodels, INtAct, SBML [Rahuman Sheriff]

2: WikiPathways for process descriptions [Marvin Martens]

3: Network analysis approaches: Fluxomics models and model standardization [Maria Klapa]

4: QSAR, Quantitative Structure-Activity Relationship [T.b.a.]

14:45 - 15:00

Instruction break-out sessions [Rob Stierum, Karine Audouze]

15.00 - 15.30

Coffee break

15.30 - 17:30

Use Case 1 Working Session 1 [Lead: Rob Stierum]

15.30 - 17:30

Use Case 2 Working Session 1[Lead: Karine Audouze]

 17.30 - 18:00

Wrap up first day 

18:30/19:00

Social Dinner at the Alex

To be decided: subsequent tour to Athens

 

Friday September 12

9.00 - 9.30

Coffee and Recap of day 1

9.30 - 11.30                              

Use Case 1 Working Session 2 [Lead: Rob Stierum]

 

Use Case 2 Working Session 2 [Lead: Karine Audouze]

11:30-11:45

Use Case 1  presentation of results to the group

11:45-12:30

Use Case 1 discussion with the whole group

12.30 - 13.30 Lunch
13.30 - 14:15 

EU/ELIXIR services for the toxicology community with a look at harmonization across the Atlantic [Holly Mortensen]

14:15-14:30

14:30-15:15

Use Case 2 presentation results to the group 

Use Case 2 discussion with the whole group

15:15-15:30

Coffee break

15:30-16:15

 

 

16:15-16:45

 

16:45-17:00

Lessions learned from use cases and discussion on roadmap towards integration of ELIXIR resources to applied systems toxicology [Chris Evelo]

 

Future steps/discussion in publication in BioHackrXiv

 

Wrap-up and thanks

[possible dinner+drinks together, needs to be decided at the location]

 

___________________

Background and project call text WS5

ELIXIR Toxicology community workshop on Systems Biology Models for Toxicology

On September 11-12th, as part of the ELIXIR Toxicology Community (https://elixir-europe.org/communities/toxicology) implementation study INTOXICOM, a systems toxicology workshop will be held in Peiraias, which is very close to Athens, Greece, right before EUROTOX 2025.

To improve chemical risk assessment, the establishment of qualitative and quantitative exposure-health outcome models is needed. Generally expressed as linear relations, the concept of adverse outcome pathways (AOP) links molecular initiating events triggered by stressors, and subsequent key events towards adverse outcomes. To better reflect reality, AOP networks have been proposed, as multiple adverse effects that may in fact be related to a single, chemically induced perturbation and vice versa, multiple stressors/perturbations may lead to one defined adverse outcome. Additionally, epidemiological approaches serve to link exposure to health outcomes in humans, in vivo, in relation to realistic exposure scenarios.

Since the 1980s, toxicology has already embraced modelling approaches such as PBPK, toxicodynamic modelling. More recently, since the 2000s, a.o. multilevel toxicogenomics data analysis, text mining and systems toxicology approaches have been implemented. However, the further integration with fundamental systems biology approaches/resources as present within ELIXIR, is needed to further advance the field of toxicology for quantitative risk assessment.

The purpose of the workshop is to leverage existing systems biology tools, services, platforms, core data resources and approaches within the ELIXIR Nodes towards toxicology. Conversely, systems toxicology models developed within the toxicology field, will be identified as to their relevance for dissemination within ELIXIR infrastructures (e.g. bio.tools).

Throughout the workshop (and one preceding webinar), two use cases will be brought in on hazard identification, which can already serve grouping and read-across in particular when limited (in vivo) data is available, versus hazard potency ranking, useful for quantitative risk assessment when combined with external exposure data. Working groups will address these case studies and aim for use case specific publications, demonstrating the potential of ELIXIR resources. A roadmap integrating ELIXIR resources to applied systems toxicology will be discussed.

After the meeting, a workshop report will be written and submitted to BioHackrXiv as preprint. 

Find here more information about the ELIXIR Toxicology Community

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