This notebook will be focusing on the Computational Drug Discovery aspect of the Bioinformatics Project. In this notebook, we will be performing the following tasks:
-Part 1: Data pre-processing
-Part 2: Descriptor Calculation and Exploratory Data Analysis
-Part 3: Descriptor Calculation and Dataset Preparation
-Part 4: Regression Models with Random Forest
-Part 5: Comparing Regressors
For bioactivity data pre-processing, we will be using the data retrieved from ChEMBL database.
This notebook is a developing modified version of the notebooks provided by Chanin Nantasenamat which you can find Here.