e-Infrastructure for end-users

Scientists and members of academia, industry and regulatory agencies

OpenRiskNet offers resources (tools, services) and support on performing risk assessment for chemicals, cosmetic ingredients, therapeutic agents, and/or nanomaterials. Easy access to a increasing number of tools using their preferred access route (web, workflow tools like knime, scripts) without the need to manually download of data and convert files when moving from one tool to another, harmonised access for comparison of different approaches.

To get familiar with the OpenRiskNet concept before you start using the services included in the e-infrastructure, please consult our case studies that are used to test the usability of the integrated tools, services and data.

Participate

If you have a prefered service, tool or database that you are using to perform your daily work (e.g. in predictive toxicology, risk assessment and related tasks) and it is not yet available in the OpenRiskNet e-infrastructure, please contact us to evaluate and discuss further details or apply directly to the Implementation Challenge. Also, you may take a this 10-minute survey aiming to investigate further your needs and requirements.

Training and support


OpenRiskNet Services for end-users

In progress
Provides identifier mapping for metabolites and genes/proteins from Homo sapiens, Mus musculus and Rattus norvegicus.

Provided by:
Maastricht University
Type:
Database / data source
Topic:
Identifier mapping
For developers
For end-users
In progress
Provides identifier mapping for metabolites and genes/proteins from a large variety of species

Provided by:
Maastricht University
Type:
Database / data source
Topic:
Identifier mapping
For developers
For end-users
In progress
Collection of toxicological data sources exposed via OpenTox
Three of the most popular toxicologic open data sources are already publically available: the EPA's in vitro ToxCast/Tox21 database, the EPA's in vivo ToxRefDB database and the ...

Provided by:
Douglas Connect
Type:
Database / data source, Application
Applicability domain:
Computational modelling, Toxicology, Bioinformatics, Predictive toxicology
Topic:
Risk assessment, Chemical properties
Biological area:
NOAEL/LOAEL, Omics, Acute toxicity
For end-users
In progress
Combining site-of-metabolism and reactivity for (P450) site-of-metabolism prediction. Includes structure-based predictor (from OpenRiskNet partner VU) and third-party (University of Copenhagen) reactivity predictor (SMARTCyp).

Provided by:
Vrije Universiteit Amsterdam
Type:
Service
Applicability domain:
Predictive toxicology
Topic:
Structure-activity relationship (SAR / QSAR)
For developers
For end-users
Integrated
Conformal prediction of log D based on dataset of ACD Log D from ChEMBL

Provided by:
Uppsala University
Type:
Trained model
Topic:
Structure-activity relationship (SAR / QSAR)
For developers
For end-users
Integrated

Provided by:
Johannes Gutenberg University Mainz
Type:
Model generation tool
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. The Jaqpot infrastructure allows the user to build applications that preprocess data, compute ...

Provided by:
National Technical University of Athens
Type:
Service, Data mining tool, Model, Model generation tool, Trained model, Processing tool, Analysis tool
Applicability domain:
Computational modelling, Predictive toxicology
Topic:
Predictive modelling, Biokinetics
For developers
For end-users
Integrated
Interactive computing and workflows sharing
A collection of Jupyter notebooks developed for and with the OpenRiskNet VRE. Project Jupyter is a non-profit, open-source project, born out of the IPython Project in 2014 as it evolved ...

Provided by:
Project Jupyter
Type:
Helper tool, Visualisation tool, Processing tool, Analysis tool, Software, Workflow
Applicability domain:
Computational modelling, Toxicology, Bioinformatics
For developers
For end-users
Integrated
Toxicity prediction
Lazar (Lazy Structure-Activity Relationships ) takes a chemical structure as input and provides predictions for a variety of toxic properties. Lazar uses an automated and reproducible read across procedure to calculate ...

Provided by:
in silico toxicology gmbh, Johannes Gutenberg Univertity
Type:
Trained model, Application, Service
Applicability domain:
Toxicology, Predictive toxicology
Topic:
Structure-activity relationship (SAR / QSAR)
Biological area:
Acute toxicity, Blood brain barrier, Carcinogenicity, NOAEL/LOAEL, Mutagenicity
For developers
For end-users
Integrated
Scientific workflows make simple
GUI already available. Working on making squonk services available to other ORN services and on allowing squonk to consume services from other ORN tools/services

Provided by:
Informatics Matters
Type:
Database / data source, Service, Workflow
For developers
For end-users
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:
Visualisation tool, Application, Data mining tool, Model, Model generation tool, Trained model, Processing tool, Analysis tool, Workflow
Applicability domain:
Computational modelling, Predictive toxicology
Topic:
Predictive modelling
For end-users
OprenRiskNet Single Sign On
OpenRiskNet Single Sign On (SSO) based on Red Hat SSO product (Keycloak). Provides a single point of user authentication for deployed applications. Administrative privileges required to access.

Provided by:
Red Hat
Type:
Service
For developers
For end-users