Published October 8, 2025 | Version v2
Model Restricted

Repository of models for FAME 3R, a high-performance predictor of sites-of-metabolism in xenobiotics, covering phase 1 and phase 2 metabolism

Authors/Creators

  • 1. ROR icon University of Vienna
  • 2. ROR icon University of Milan

Description

This repository contains all FAME 3R classifiers and score estimators trained on the full, processed MetaQSAR database (as defined in the accompanying publication). The models are freely available for non-commercial research via this Zenodo repository.

To request access, please submit your application via Zenodo using the provided form. Please use your institutional email address, as we are required to verify the non-commercial status of requesting parties.

For inquiries or information on commercial licensing, please contact us at: comp3d.pharmacy@univie.ac.at.

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Additional details

Related works

Is described by
Journal article: 10.1186/s13321-026-01161-1 (DOI)

Funding

Christian Doppler Research Association
BASF (Germany)
Boehringer Ingelheim (Austria)

Software

Programming language
Python