This pipeline provides a way to perform pharmaceutical compounds virtual screening using similarity-based analysis, ligand-based and structure-based techniques. The pipeline contains a collections of modules to perform a variety of analysis.

A Drug Discovery method using CHEMBL database, Lipinski Parameters, molecular fingerprint (padel) for SARS coronavirus 3C-like proteinase.

Bioactivity Prediction Using Machine Learning: A project for predicting bioactivity against specific targets using chemical descriptors, exploratory data analysis, and regression models. Built with Python, PaDEL, and Scikit-Learn.