Drug metabolism and toxicity prediction.
Project description
Drug Toxicity software
Package for the simulation phase I and phase II metabolism of drugs using RDKit.
A compound in SMILES format is required, and phase I and phase II reactions can be simulated using predict_phase_i and predict_phase_ii respectively.
Installation
You can install DrugToxicity using pip install git+https://github.com/HettieC/DrugToxicity
Issues and support
If you encounter any issues, please contact us through the issues page.
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