Loading Events

« All Events

  • This event has passed.

Colloquium – Guowei Wei, Michigan State University

January 14 @ 11:00 am - 12:00 pm

Title: Mathematical AI for drug discovery

Abstract: Artificial intelligence (AI) has fundamentally changed the landscape of science, technology, industry, and social media in the past few years. It holds a great future for discovering new drugs significantly faster and cheaper. However, AI-based drug discovery encounters obstacles arising from the structural complexity of protein-drug interactions and the high dimensionality of drug candidates’ chemical space. We tackle these challenges mathematically. Our work focuses on reducing the complexity and dimensionality of protein-drug complexes. We have introduced differential geometry, algebraic topology, and graph theory to obtain high-level abstractions of protein-drug interactions and thus significantly enhance AI’s ability to handle excessively large datasets of complex biomolecules in drug discovery.  Our mathematical AI approach has made us a top competitor in D3R Grand Challenges, a worldwide annual competition series in computer-aided drug design and discovery in the past three years.

Details

Date:
January 14
Time:
11:00 am - 12:00 pm
Event Categories:
,
Event Tags:

Organizer

Shan Zhao
Email:
szhao@ua.edu
Website:
http://szhao.people.ua.edu/