Speaker: Prof. Olaf G. WIEST

Department: Department of Chemistry and Biochemistry

Institution: University of Notre Dame, USA

Hosted by: Prof. Zhenyang LIN

Venue: Room 2404, 2/F (Lift 17/18), Academic Building, HKUST

 

Abstract:

The availability of large experimental and computational datasets opens new possibilities for the application of machine learning (ML) methods in organic synthesis. The NSF Center for Computer Assisted Synthesis (C-CAS), is dedicated to changing the way chemists discover, optimize, interrogate, and apply new reactions to the synthesis of functional molecules. In this presentation, different applications of computational methods to predictions of stereochemistry, reaction outcomes, and yields are discussed. Challenges, limitations and possible approaches to address them will be outlined as part of the 10-year vision for C-CAS.

12 Jan 2023
11am - 12pm
Register Now
Where
Room 2404, 2/F (Lift 17/18), Academic Building, HKUST
Speakers/Performers
Organizer(S)
Department of Chemistry
Contact/Enquiries
chbessie@ust.hk
Payment Details
Audience
PG students, Faculty and staff
Language(s)
English
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