Lecture 13A
Cheminformatics
Foundations
Date: Apr 8, 2025
DRAFT
This page is a work in progress and is subject to change at any moment.
After today, you should have a better understanding of:
- The basic principles of ligand-based drug design and how it differs from structure-based approaches.
- How descriptors and fingerprints evaluate molecular similarity.
- How QSAR models predict biological activity based on molecular structure.
- The role of pharmacophore modeling in identifying essential molecular features for activity.