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
WikiPathways was established to facilitate the contribution and maintenance of pathway information by the biology community. WikiPathways is an open, collaborative platform dedicated to the curation of biological pathways. WikiPathways ...

Provided by:
Maastricht University
Type:
Database / data source
Applicability domain:
Bioinformatics
Topic:
Information extraction
Biological area:
Acute toxicity, Carcinogenicity, Mutagenicity, Genotoxicity, Skin sensitisation, Omics, Transcriptomics
For end-users
For developers
In progress
BridgeDb is a platform for database identifier mapping, both simple identifiers (e.g. CHEBI:1234) and universal resource identifiers (URIs, e.g. http://identifiers.org/chebi/CHEBI:1234). It is ...

Provided by:
Maastricht University
Type:
Database / data source, Service
Applicability domain:
Bioinformatics
Topic:
Identifier mapping
For developers
For end-users
Integrated
The model predicts Log D based on a support vector machine trained on data from ChEMBL version 23 comprising approximately 1.6 million compounds. The confidence interval is calculated for ...

Provided by:
Uppsala University
Type:
Trained model
Applicability domain:
Computational modelling
Topic:
Structure-activity relationship (SAR / QSAR), Predictive modelling, Chemical properties
For developers
For end-users
In progress
The eNanoMapper prototype database is part of the computational infrastructure for toxicological data management of engineered nanomaterials, developed within the EU FP7 eNanoMapper project. Provides support for upload, search and ...

Provided by:
Maastricht University
Type:
Database / data source
Applicability domain:
Toxicology, Bioinformatics
Topic:
Information extraction, Nano safety, Chemical properties
For end-users
For developers
In progress
This service is a Virtuoso SPARQL endpoint that is loaded with RDF of the Adverse Outcome Pathway (AOP)-Wiki database (https://aopwiki.org/), based on the quarterly XML dumps that ...

Provided by:
Maastricht University
Type:
Database / data source
Applicability domain:
Toxicology, Bioinformatics
Topic:
Information extraction, Risk assessment
For end-users
For developers
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
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
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
Integrated
Chemical identifier conversion service
This REST Api allows you to submit chemical identifiers in one format and translate it into another format (e.g. SMILES -> InChi)

Provided by:
Douglas Connect
Type:
Helper tool
Topic:
Identifier mapping
For end-users
For developers
In progress
Information retrieval system for semantic searches in large text collections
SCAIView is a knowledge discovery software for the life sciences. It facilitates­ the rapid identification of aggregate­d information from large text sources. Knowledge Discovery and Semantic Search Documents are ...

Provided by:
Fraunhofer Gesellschaft
Type:
Application, Service, Software
Applicability domain:
Bioinformatics
Topic:
Identifier mapping, Information extraction
For end-users
In progress
BridgeDb is a platform for database identifier mapping, both simple identifiers (e.g. CHEBI:1234) and universal resource identifiers (URIs, e.g. http://identifiers.org/chebi/CHEBI:1234). It is ...

Provided by:
Maastricht University
Type:
Database / data source, Service
Applicability domain:
Bioinformatics
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

Provided by:
Johannes Gutenberg University Mainz
Type:
Model generation tool, Trained model, Service
Applicability domain:
Computational modelling, Predictive toxicology
Topic:
Predictive modelling
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
MetPred predicts site-of-metabolism using a data mining approach based on Reaction SMARTS to define reaction types.

Provided by:
Uppsala University
Type:
Trained model, Service
Applicability domain:
Computational modelling
Topic:
Information extraction, Risk assessment
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