The traditional way is like trying different key shapes until you find the right one.
In drug design, scientists want to create a molecule (the key) that perfectly fits into a certain target in the body (the lock). This target is often a protein involved in a disease.
The AI looks at the structure of the target (the lock) and suggests the best-fitting molecule (the key) by considering how they interact at a molecular level. This helps researchers design drugs more efficiently, potentially leading to new and better treatments for various diseases.