AI in Drug Discovery & Development
Artificial Intelligence has numerous use cases when we talk about Drug Discovery and Development processes. Artificial Intelligence has been able to greatly advance the age-old pharmaceutical research methodologies and upgrade them from traditional approaches.
Drug Development is based on Molecule development. There are 2 approaches to develop molecules:-
1. Structure-based
This approach requires to have the knowledge of structure of both target and ligand
It deals with methods for free-energy binding calculation, protein-ligand docking, Dynamics of molecules etc.
2. Ligand-based
Ligand based approach uses ligand information to predict biological response.
What is a ligand?
It is an Ion/Molecule which binds with the central atom to form a complex coordination.
Drug Discovery Pipeline
Energy Evaluation between Molecules
It relies on the empirical scoring function/ force fields. During drug discovery and…
