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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.
Models
We provide access to FAME3R SOM classifier models trained on data derived from the proprietary MetaQSAR database. The models are freely available for non-commercial research via our Zenodo repository.
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.
1 maintainer
Metadata
1 maintainer
Release files for fame3r 2.1.0
For a detailed explanation of source distributions (sdists) and built distributions (wheels), please see the package formats documentation.
Source distribution (sdist)
| File | Size | Uploaded | |
|---|---|---|---|
| fame3r-2.1.0.tar.gz | 47.6 kB | Details |
Built distribution (wheel)
| File | Interpreter | ABI | Platform | Reset |
|---|---|---|---|---|
| fame3r-2.1.0-py3-none-any.whl | Python 3 | none | any | Details |
Total release size: 96.5 kB
Release files / fame3r-2.1.0.tar.gz
| Download URL | fame3r-2.1.0.tar.gz |
|---|---|
| Size | 47.6 kB |
| Tags | Source |
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SHA-256 checksum How to use checksums |
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BLAKE2b-256 checksum How to use checksums |
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Uploaded using Trusted Publishing? What is trusted publishing? |
No |
| Uploaded via |
twine/6.1.0 CPython/3.13.5
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Release files / fame3r-2.1.0-py3-none-any.whl
| Download URL | fame3r-2.1.0-py3-none-any.whl |
|---|---|
| Size | 48.9 kB |
| Tags | Python 3 |
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SHA-256 checksum How to use checksums |
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BLAKE2b-256 checksum How to use checksums |
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| Upload date | |
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Uploaded using Trusted Publishing? What is trusted publishing? |
No |
| Uploaded via |
twine/6.1.0 CPython/3.13.5
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