Drug Discovery App
A Drug Discovery App Using Lipinski's Rule-of-Five.
TAPIWA CHAMBOKO
🚀
About Me
I'm a full stack developer experienced in deploying artificial intelligence powered apps
Authors
Acknowledgements
Demo
Live demo
Installation
Install required packages
pip install streamlit
pip install numpy
pip install seaborn
pip install pandas
pip install matplotlib
pip install streamlit-lottie
pip install mols2grid
pip install rdkit-pypi
Datasets
- The drug.txt Dataset in data folder is bieng used
Code Snippet For Drug structure
raw_html = mols2grid.display(df_result4,
#subset=["Name", "img"],
subset=["img", "Name", "MW", "LogP", "NumHDonors", "NumHAcceptors"],
mapping={"smiles": "SMILES", "generic_name": "Name"})._repr_html_()
components.html(raw_html, width=900, height=1100, scrolling=False)
Deployment
To deploy this project we used streamlit to create Web App
- Run this code below
streamlit run app.py
Appendix
Happy Coding!!!!!!