cloud

QSPRpred

Service to train and employ QSAR and PCM models. Takes a compound structure and pretrained model as input and returns the predicted potency of said compound.

Documentation

VHP4Safety Documentation

• Service introduction:
• Workflow:
• Demo: Tutorial usage

VHP4Safety Service Metadata

• External cloud: https://github.com/CDDLeiden/QSPRpred
• Login required:
• Implementation status:
• TRL:
• Type: -
• Contact: Linde Schoenmaker l.schoenmaker@lacdr.leidenuniv.nl
• API Type: , R package, Python
• Categories: -
• Targeted users: -
• Relevant VHP4Safety Use case: -

Technical tool specifications

• Provided by:
• Citation:
• Version:
• License: MIT
• Source Code:
• Docker:
• Bio.tools:
• FAIRsharing:
• TeSS:
• RSD:
• Wikipedia: