FAME3R: a re-implementation of the FAME3 model
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Description
FAME3R is a random forest model predicting the phase 1 and phase 2 sites of metabolism (SOMs) in small organic molecules. SOMs are atoms where a metabolic reaction gets initiated and, thus, are a good starting point for determining the metabolic fate of xenobiotic compounds.
Documentation
The documentation, including installation instructions, tutorials for using the software, and full Python API documentation can be found online on GitHub Pages.
Citation
Please refer to the Citation section in our documentation.
License
Unless otherwise noted, all files in this directory and all subdirectories are distributed under the MIT License.
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