Drug Discovery App

A Drug Discovery App Using Lipinski’s Rule-of-Five.

APP

TAPIWA CHAMBOKO

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🚀 About Me

I’m a full stack developer experienced in deploying artificial intelligence powered apps

Authors

Acknowledgements

Demo

Live demo

Click here for 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!!!!!!

GitHub

View Github