Skip to Main Content

CH 564

Download as PDF

AI/ML Enabled Drug Discovery and Synthesis

Chemical Sciences (Program)Engineering and Science

Course Description

This preparatory, hands-on course equips students with the practical skills to perform AI/ML enabled drug design, patent and intellectual property searches, and retrosynthetic analysis using advanced tools like Schrodinger Maestro, Chemdraw, and SciFinder. Participants will learn to model protein-ligand interactions, design and screen analogs, predict molecular properties, and determine protein structures using AlphaFold. By the end of the course, students will be able use AI/ML tools to design novel inhibitors, develop synthetic schemes, analyze potential binding sites, and effectively communicate their findings through scientific reports and presentations.

Credits

3

Periods Typically Offered

Fall Semester, Spring Semester