Wishartlab-openscience/Biotransformer
A computational tool for the prediction and identification of metabolites.
This tool helps scientists predict how small molecules are metabolized in mammals, their gut, and environmental microbes. You input a small molecule's structure (like a SMILES string or SDF file), and it outputs a list of predicted metabolites. This is for researchers in drug discovery, environmental science, or toxicology who need to understand how substances break down in biological systems.
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Use this if you need to predict potential metabolites of a small molecule or identify metabolites based on their mass and formula for biological and environmental studies.
Not ideal if you need to predict metabolism for commercial purposes using the environmental microbial degradation module, as it requires a separate commercial license.
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Language
Java
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Last pushed
Aug 19, 2021
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