cloud

QSPRpred

This tool is intended for hazard assessment of novel chemicals. A user can give their chemical of interest and predict its activity on various endpoints. This prediction is done by target-specific QSAR models that have been created within the VHP4Safety consortium. Each of the models is specific for an endpoint related to a molecular initiation event from an adverse outcome pathway. This makes the models relevant for hazard assessment. To see how such models can be applied in a risk assessment context, go to the case studies on the platform (https://platform.vhp4safety.nl/casestudies).

Documentation

VHP4Safety Documentation

• Service Introduction: To be added

• Workflow: To be added

• Demo: To be added

VHP4Safety Service Metadata

• Stage: https://vhp4safety.github.io/glossary#VHP0000102

• Sub-Stage:

• Development Cloud: https://qsprpred.cloud.vhp4safety.nl/

• Login Required: No

• TRL: 3

• Type: internal

• Contact: Linde Schoenmaker (l.schoenmaker@lacdr.leidenuniv.nl)

• API Type:

• Categories: To be added

• Targeted Users: To be added

• Relevant VHP4Safety Use Case: To be added

Techincal Tool Specifications

• Provider: Not available

• Citation: https://doi.org/10.1186/s13321-024-00908-y

• Version: Not available

• License: MIT

• Source Code: https://github.com/VHP4Safety/QSPRpred-Docker

• Docker: https://github.com/VHP4Safety/QSPRpred-Docker

• Bio.tools: Not available

• FAIRsharing: Not available

• TeSS: Not available

• RSD: Not available

• Wikipedia: Not available