Metadata-Version: 2.4
Name: drug_toxicity
Version: 0.3.1
Summary: Drug metabolism and toxicity prediction.
Author-email: Hester Chapman <hester.chapman@btinternet.com>
License-Expression: MIT
Project-URL: Homepage, https://github.com/HettieC/DrugToxicity
Project-URL: Issues, https://github.com/HettieC/DrugToxicity/issues
Classifier: Programming Language :: Python :: 3
Classifier: Operating System :: OS Independent
Requires-Python: >=3.11
Description-Content-Type: text/markdown
License-File: LICENSE
Requires-Dist: molvs>=0.1.1
Requires-Dist: pubchempy>=1.0.4
Requires-Dist: rdkit>=2025.3.6
Dynamic: license-file

# 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](https://github.com/HettieC/DrugToxicity/issues) page.
