Lecture 13B
Cheminformatics

Methodology

Date: Apr 10, 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:

1. The basic principles of ligand-based drug design and how it differs from structure-based approaches.
2. How descriptors and fingerprints evaluate molecular similarity.
3. How QSAR models predict biological activity based on molecular structure.
4. The role of pharmacophore modeling in identifying essential molecular features for activity.