Metadata-Version: 2.4
Name: drug_toxicity
Version: 0.3.2
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. 

## Installation 

You can install the software from [PyPi](https://pypi.org/project/drug_toxicity/) using 
```pip install drug_toxicity```

## Documentation 

Documentation can be found at [readthedocs](https://drugtoxicity.readthedocs.io/en/latest/).

## Issues and support
If you encounter any issues, please contact us through the [issues](https://github.com/HettieC/drug_toxicity/issues) page.
