QSPRpred

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

Parkinson case study

Thyroid hormone case study

Run the tool

Taxila.nl

ELIXIR TeSS

Intro: QSPRpred App: Predicting Molecular Initiating Event Activation based on chemical structure

Contact

Gerard van Westen;Linde Schoenmaker (Department of Medicinal Chemistry, Leiden University)

License: MIT
Source code: https://github.com/VHP4Safety/QSPRpred-Docker
Docker: https://github.com/VHP4Safety/QSPRpred-Docker

References