Trends in Modern Hit Discovery:

How your Ultra-Large Screens can Benefit from Machine Learning

DATE
September 22, 2021
TIME
10:00 a.m. PDT, 1:00 p.m. EDT, 18:00 BST, 19:00 CEST
Duration: 60 Minutes

Overview

While traditional structure-based virtual screening has been successful in finding diverse hits to advance projects, there is significant room for improvement of hit rates, diversity of hit chemotypes, available IP space explored and the potency of unoptimized hits. Ultra-large, on-demand synthesizable libraries from vendors have enabled ~100x expansion of purchasable compound space – now numbering billions of compounds – while DNA encoded libraries (DEL) can be even larger. In this webinar, we explore how machine learning approaches can be used to more effectively screen these much larger chemical spaces.
 

Brought to you by:
Schrödinger

Speakers

Dr. Matt Repasky
Senior Vice President,
Schrödinger
Melissa O'Meara
Forensic Science Consultant,
C&EN Media Group

Registration

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