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FAME3R is a Python software package providing a fast, compact, and practical re-design of the FAME 3 model for predicting sites-of-metabolism (SOMs) in small organic molecules. SOMs are atoms where metabolic reactions are initiated, useful for assessing metabolic fate of xenobiotic compounds. The package includes random forest classifier models for phase 1 and phase 2 metabolism, trained on data from the proprietary MetaQSAR database. Models are distributed for non-commercial research via Zenodo repository. Installation instructions, usage tutorials, and Python API are available in online documentation. Distributed under MIT License, FAME3R is accessible via PyPI and conda-forge.
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