INTOXICOM-WS-2 - WP-3 features WS-3

-ELIXIR Toxicology Community Workshop-

Making toxicology tools more accessible and interoperable

The host of this third workshop is

SciLifeLab, hosted by SciLifeLab Data Centre, Uppsala, Sweden

SCIENTIFIC ORGANIZERS

Egon Willighagen (NL)	Ola Spjuth (SE)	Antreas Afantitis (CY)

Maastricht University, NL	SciLifeLab, UU, SE	NovaMechanics , CY

Workshop 3 has the title "Making toxicology tools more accessible and interoperable". This workshop (for up to 40 participants) is a face-to-face, free-of-charge hands-on workshop, organised in the context of the first implementation study (INTOXICOM) of the ELIXIR Toxicology Community. See the ELIXIR Toxicology Community Whitepaper for more in-depth information about the community's goals.

Several projects, such as NanoSolveIT, ONTOX, and VHP4Safety, already make computational toxicology services available. In this workshop, we will cover various aspects of making computational tools available and how they are used.

The first session will focus on what tools currently exist and how they relate to ELIXIR Europe. This session will be user-centric and will give an overview of what is available and how ELIXIR solutions like FAIRsharing and bio.tools can be used to find tools and what information about the tools they provide.

The first day continues with a session bridging data with the tools. This session is user-centric with experimental toxicologists, explaining how their data can integrate with these computational tools. For example, how data hosted on Figshare can be used in tools, or how computational workflows can bridge data repositories with computational tools.

The second day continues with a session on how computational tools can address data gaps and enhance experimental toxicology data. Topics in this session are expected to explain how computational solutions help give biological and toxicological context, how AI is used for predictions, and how large language models may help with literature research.

TARGET AUDIENCE

This workshop is the third in a row of five workshops, designed for all toxicologists, bioinformatician or data managers working in computational toxicology and beyond, who are interested in learning more about computational toxicology and how it can be used for/with your own experimental data.

WHEN

Day 1: Wednesday 26.03. from 11h to 18h & subsequent social dinner

Day 2: Thursday 27.03. from 9h to 15h

WHERE

SciLifeLab, hosted by SciLifeLab Data Centre, Uppsala, Sweden

Address

BMC
Trippelrummet Husargatan 3
Entrance C11
751 22 Uppsala

INTRODUCTORY WEBINAR

In preparation for the workshop, the introductory webinar for this workshop will be held one weeks before the workshop and is in principle mandatory. During this one-hour meeting participants can introduce themselves. In a co-creation-style we will finalize the details of the programme based on the scheme below.

REGISTRATION

Questions? Please let me know: Meike Bünger.

Register here

Uppsala brochure must see here

Find a suitable hotel here.

Draft PROGRAMME

Wednesday, March 26

10.30 - 11.00	Registration with coffee and sandwiches
11.00 - 11.15	Welcome at SciLifeLab [Ola Spjuth]
11.15 - 11.30	ELIXIR INTOXICOM & workshop overview [Egon Willighagen]
11.30 - 12.00	What tools for toxicology exist? [Egon Willighagen] bio.tools (computational tools) FAIRsharing (databases APIs)
12.00-13.00	Lunch
13.00-13.30	What tools are missing from bio.tools and FAIRsharing?[Egon Willighagen]
13.30 - 15.30	How to make your data integrate with the tools? [Ola Spjuth] Part 1: User stories on data and tools - challenges and opportunities in toxicology Morphological profiling for chemical toxicity, FigShare, [Jonne Rietdijk, UU, SE] VHP4Safety project workflows [Egon Willighagen] NovoMechanics platforms: NanoSolveIT, Enalos Cloud, Pharos DMS [Antreas Afantitis]
15.30 - 16.00	Coffee break
16.00 - 17.30	How to make your data integrate with the tools? [Ola Spjuth] Part 2: User stories on data and tools - challenges and opportunities in toxicology Joëlle Rüegg Mistra SafeChem Tobias Anderman Discussions: How to make toxicology data FAIR enough for current solutions?
17.30 - 18.00	Summary of the day take home message [Ola Spjuth]
19:00	Social Dinner @

Thursday March 27

9.00 - 9.45	Registration with coffee and sandwiches
9.45 - 12.00	How can solutions complement your data? Using tools in tox studies. Giving biological and toxicological context: WikiPathways, AOP-Wiki, other databases [Egon Wilighagen] Sharing and serving ML models in toxicology research with SciLifeLab Serve [Arnold Kochari, SciLifeLab, SE] Large Language Model tools and AI-Agents in toxicology research [Ivo Djidrovski, Univ. Utrecht, NL] QSAR integration [ t.b.a.]
12.00 - 13.00	Lunch
13.00 - 14.30	Discussion: what is missing, key challenges, what's next?
14.30 - 15.00	Wrap up

Find here more information about the ELIXIR Toxicology Community.

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