Lazar Toxicity Predictions

Toxicity predictions
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 predictions. Rationales for predictions, applicability domain estimations and validation results are presented in a clear graphical interface for the critical examination by toxicological experts.

For developers
For end-users
Type:
Trained model, Application, Service
Categories:
Processing and analysis
Applicability domain:
Toxicology, Predictive toxicology
Topic:
Structure-activity relationship (SAR / QSAR)
Biological area:
Acute toxicity, Blood brain barrier, Carcinogenicity, NOAEL/LOAEL, Mutagenicity
Targeted industry:
Drugs, Cosmetics, Food
Targeted users:
Risk assessors, Researchers, Students, Software Developers, Informed public
Relevant OpenRiskNet case study:
ModelRX - Modelling for Prediction or Read Across
Support contact:

Provided by:
in silico toxicology gmbh, Johannes Gutenberg Univertity
Licence:
GNU Lesser General Public License 3 (LGPLv3.0)
Login required:
Yes
Implementation status:
Containerised, Graphical user interface available, Available as web service
Integration status:
Integrated application
Service integration operations completed:
Utilises the OpenRiskNet APIs to ensure that each service is accessible to our proposed interoperability layer.
Is annotated according to the semantic interoperability layer concept using defined ontologies.
Is containerised for easy deployment in virtual environments of OpenRiskNet instances.
Has documented scientific and technical background.
Is deployed into the OpenRiskNet reference environment.
Is listed in the OpenRiskNet discovery services.
Is listed in other central repositories like eInfraCentral, bio.tools and TeSS (ELIXIR).
Provides legal and ethical statements on how the service can be used.

Resources & Training

Presentation
WP4 Service Integration
13 Dec 2018
Additional materials:
WP4 presentation

Open access: yes
Licence: Attribution-ShareAlike 4.0 International (CC BY-SA 4.0)
Organisations involved: CRG, EwC, Fraunhofer, IM, INERIS, JGU, NTUA, UM, UU, UoB, VU
Presentation
Report
Report of the Service Integration with OpenRiskNet - Initial Deployment (Deliverable 4.1)
Jennen, Danyel; Dudgeon, Tim; Sarimveis, Haralambos; Doganis, Philip; Karatzas, Pantelis; Rautenberg, Micha; Willighagen, Egon; Exner, Thomas
12 Nov 2018
Abstract:
Tis report describes the status of selection of services of high priority for the OpenRiskNet infrastructure and their integration including active services provided by the consortium, associated partners and other third parties.
Related services:
Lazar Toxicity Predictions

Publisher: OpenRiskNet
Target audience: Risk assessors, Developers, Data modellers
Open access: yes
Licence: Attribution-ShareAlike 4.0 International (CC BY-SA 4.0)
Organisations involved: EwC, IM, JGU, NTUA, UM
Report
Report
Initial API version provided to providers of services (Deliverable 2.2)
Rautenberg, Micha; Karwath, Andreas; Kramer, Stefan; Dudgeon, Tim; Spjuth, Ola; Bachler, Daniel; Exner, Thomas; Dokler, Joh; Sarimveis, Haralambos; Valsamis, Angelos; Doganis, Philip; Willighagen, Egon; Bois, Frederic
7 Nov 2018
Abstract:
This document reports the work towards the first version of the OpenRiskNet application programming interfaces (APIs) to be released to all partners of the consortium and associated partners for feedback and usage. Based on the diversity of the requirement foreseeable when developing the case studies to validate the infrastructure with real-world applications across all areas of predictive toxicology and risk assessment, a bottom-up approach to start with existing APIs and then harmonize them and bring them collectively to higher levels by integrating richer scientific annotation (semantic interoperability layer) was adopted in contrast to a top-down approach, where the API specification is defined by the consortium first and then all services have to be changed to comply to this specification.

Publisher: OpenRiskNet
Target audience: Developers, Software developers
Open access: yes
Licence: Attribution-ShareAlike 4.0 International (CC BY-SA 4.0)
Organisations involved: EwC, IM, INERIS, JGU, NTUA, UM, UU
Report
Report
Report on deployment of virtual infrastructures with service discovery and container orchestration (Deliverable 2.3)
Spjuth, Ola; Dudgeon, Tim; Bachler, Daniel; Gebele, Denis; Rautenberg, Micha; Alvarsson, Jonathan; Karatzas, Pantelis; Willighagen, Egon; Evelo, Chris; Martens, Marvin; Exner, Thomas
7 Nov 2018
Abstract:
This report documents the Demonstrator for the Deliverable 2.3, describing the deployment of virtual infrastructure and applications making up the OpenRiskNet Virtual Research Environment (VRE). It outlines the system analysis, deployment fundamentals, service discovery, and a list of the currently available services. The production reference instance is deployed on the Swedish Science Cloud (SSC), and end user access is available at https://home.prod.openrisknet.org.
Related services:
Lazar Toxicity Predictions

Publisher: OpenRiskNet
Target audience: Developers, Software developers
Open access: yes
Licence: Attribution-ShareAlike 4.0 International (CC BY-SA 4.0)
Organisations involved: EwC, IM, JGU, NTUA, UM, UU
Report