cloud

QSPRpred

This tool allows users to predict the activity of their chemicals of interest for various endpoints. This prediction is done by target-specific, pretrained QSAR models. These models are specific for endpoints related to molecular initiation events from the VHP4Safety case studies.

‘[QSPRpred logo’]

Documentation

VHP4Safety Documentation

• Service Introduction: To be added

• Workflow: To be added

• Demo: To be added

VHP4Safety Service Metadata

• 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