📂 Chemoinformatics_Explained

Welcome to the Chemoinformatics Explained! 🧪💻 This folder contains the basics for you to starting to dive into the world of chemoinformatics, where chemistry meets data science! 🔬📊

📑 Folder Overview

Here’s what you’ll find inside:

• Code Examples: Ready-to-run scripts showcasing algorithms and workflows in chemoinformatics.
• Exercises: Hands-on problems to help you practice chemoinformatics techniques.

🌟 Topics Covered

• Introduction to Chemoinformatics (under preparation)
• EDA of Chemical Dataset
• Descriptor Calculations
• Machine Learning for Chemistry (QSPR and QSAR)
• Libraries to Acelerate your Descriptor Calculation and QSPR/QSAR analysis (molfeat, alvaDesc, etc.)
• Visualization Tools (under preparation)

🛠️ How to Use This Folder

1. Start with the lecture slides for an overview that I provide separately.
2. Run the Google Colab example linked to the studied slides and get familiar with the analysis workflow
3. Try running the assigned exercise(s) to test your knowledge.