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Mechanisms of Action (MOA) Prediction Web Application

Description

This project aims to predict the mechanism of action (MOA) of various drugs using machine learning and deep learning techniques. It leverages gene expression, cell viability data, and other relevant features to develop a predictive model that can assist in drug discovery and development.

Installation Instructions

Prerequisites

  • Python 3.8+
  • Node.js 14+

Python Dependencies

Ensure you have pip installed. Then, install the necessary Python packages:

pip install -r requirements.txt

Node.js Dependencies

Navigate to the project directory and install the necessary Node.js packages:

npm install

Running the Web Application

Start the Flask Server

After installing the Python dependencies, start the Flask server:

python server.py

Start the Node.js Application

In another terminal, navigate to the project directory and start the Node.js application:

npm run dev

Usage

Example Code Snippets

Using the Flask API

Node.js Frontend

The frontend provides an interactive interface for users to input data and view predictions. After running npm run dev, visit http://localhost:3000 in your browser to access the application.

Features

Predictive Models

Utilizes machine learning models to predict drug MOA.

ANN

score on kaggle

training history

XGBoost using Autoencoder

score on kaggle

These are the two best models out of the many models we have trained

User-Friendly Interface

Web application built with Node.js for easy interaction.

A video explaining what's in the web and how to use our tool to predict the mechanism of action

Follow the link and download the video to see the instructions and features in the web and how to use them to predict your data

Contributing

We welcome contributions! Please follow these steps:

1. Fork the repository.

2. Create a new branch (git checkout -b feature-branch).

3. Commit your changes (git commit -m 'Add new feature).

4. Push to the branch (git push origin feature-branch).

5. Open a pull request.

Credits

Menofia University, Menofia, Egypt

About

We designed a web application capable of accurately predicting the MOAs of various pharmaceutical compounds. This project involved extensive research into drug interactions and computational modeling techniques, resulting in a user-friendly tool poised to revolutionize drug discovery and development processes.

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  • Jupyter Notebook 95.7%
  • JavaScript 3.1%
  • Other 1.2%