cloud

QSPRpred

An online tool for chemical activity prediction for various endpoints using target-specific and pretrained QSAR models.

Main Webpage: https://qsprpred.cloud.vhp4safety.nl/

Tool Webpage: https://qsprpred.cloud.vhp4safety.nl/

Contact

Contact Person(s): Gerard van Westen (gerard@gjpvanwesten.nl), Linde Schoenmaker (l.schoenmaker@lacdr.leidenuniv.nl)

Provider Institute: Department of Medicinal Chemistry, Leiden University

Documentation

VHP4Safety Documentation

• Service Introduction: QSPRpred App: Predicting Molecular Initiating Event Activation based on chemical structure

• 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

• API Type:

• Categories: To be added

• Targeted Users: To be added

• Relevant VHP4Safety Use Case: To be added

Technical Tool Specifications

• Citation: 10.26434/chemrxiv-2025-jr9v7

• 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: QSPRpred

• RSD: Not available

• Wikipedia: Not available