عن المشروع

FAME3R is a Python software package that provides a fast, compact, and practical redesign of the FAME 3 model for predicting sites-of-metabolism (SOMs) in small organic molecules. SOMs represent atoms where metabolic reactions begin, critical 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 MetaQSAR database. Distributed for non-commercial research via Zenodo, it includes installation instructions, usage tutorials, and a Python API in its online documentation. Licensed under MIT, it is available through PyPI and conda-forge.