Open e-Infrastructure to Support Data Sharing, Knowledge Integration and in silico Analysis and Modelling in Predictive Toxicology and Risk Assessment

OpenRiskNet is a 3 year project with the main objective to develop an open e-Infrastructure providing resources and services to a variety of communities requiring risk assessment, including chemicals, cosmetic ingredients, therapeutic agents and nanomaterials. OpenRiskNet is working with a network of partners, organized within an Associated Partners Programme.

The e-Infrastructure

The main concept of the OpenRiskNet infrastructure are virtual research environments (VRE) integrating data, analysis, modelling and simulation services for all areas of risk assessment, which can be deployed to workstations as well as public and in-house cloud infrastructures.

Try it out

Feel free to test out one or multiple of the available services.

The Service Catalogue →

  • To get familiar with the OpenRiskNet concept, consult our case studies.
  • Try our workflows that can be directly applied or used as examples for further adaptations.

Tutorials and feedback

  • Webinars – Watch the recordings of the webinars introducing the infrastructure.
  • Help desk – Report issues, give feedback and browse our knowledge base.

You will need to login to access some of the services. Please check the login instructions, terms of use and privacy policy for details.

Resources for end-users

For scientists and members of academia, industry or regulatory agencies who would like to use the infrastructure for their predictive toxicology and risk assessment tasks.

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Resources for developers

For service developers, infrastructure providers or data managers who would like to integrate their databases and software tools into the OpenRiskNet infrastructure.

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OpenRiskNet Services

Integrated
Machine learning models for site-of-metabolism prediction
FAME (FAst MEtabolizer) is a machine learning model for the prediction of sites of metabolism (SOMs) for drug-like and other xenobiotic compounds (Šícho et al., 2019). FAME 3 predicts SOMs ...

Provided by:
Universitaet Hamburg and UCT Prague and University of Bergen
Type:
Application, Software, Trained model, Model, Service
Applicability domain:
Predictive toxicology
Topic:
Structure-activity relationship (SAR / QSAR), Predictive modelling
For end-users
For developers
In progress
The On-line Chemical Database and Modeling Environment models
The tools provide an access to ten models, namely physico-chemical properties (logP, melting point, water solubility), biological properties (BCF - bio-concentration factor, the Human Ether-a-go-go-related Gene (hERG) channel blockage, CYP1A2 ...

Provided by:
BigChem GmbH
Type:
Trained model
Applicability domain:
Predictive toxicology
Topic:
Chemical properties, Risk assessment, Structure-activity relationship (SAR / QSAR), Predictive modelling
Biological area:
NOAEL/LOAEL, Acute toxicity
For end-users
Integrated
Webservice to WEKA Machine Learning Algorithms
RESTful API Webservice to WEKA Machine Learning Algorithms. This webservice provides an OpenRiskNet compliant REST interface to machine learning algorithms from the WEKA Java Library. This application is developed by ...

Provided by:
Johannes Gutenberg University Mainz
Type:
Trained model, Model generation tool, Model, Service
Applicability domain:
Computational modelling, Predictive toxicology
Topic:
Predictive modelling
For developers
For end-users
Integrated
Generate, store and share predictive statistical and machine learning models
Jaqpot is a user-friendly web-based e-infrastructure containing many data analysis and modelling microservices integrated under harmonised APIs. Jaqpot GUI is a user interface that allows the end-user to use most ...

Provided by:
National Technical University of Athens
Type:
Application, Visualisation tool, Analysis tool, Processing tool, Trained model, Model generation tool, Model, Data mining tool, Workflow tool
Applicability domain:
Computational modelling, Predictive toxicology
Topic:
Predictive modelling
For end-users
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News & events

Implementation Challenge

The implementation challenge provided financial support to associated partners, which are working on integrating their services into OpenRiskNet.

The winners of the challenge are announced on the dedicated page.

Introduction and demo virtual meetings

A series of introduction and demo virtual meetings were organised by the consortium. The video recordings of these webinars and the presentation slides are available in the OpenRiskNet library. The complete list events are announced on the website.

Meet us

Meet us in person at one of these upcoming conferences and other events. Details on the past events and the resources generated are also available.

A final workshop was organised on 23-24 October 2019 (Amsterdam, The Netherlands). The details on the topics, program and materials are available on the event web page or in the workshop report.