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:

Speakers

Dr. Matt Repasky
Senior Vice President,
Schrödinger

Melissa O'Meara
Forensic Science Consultant,
C&EN Media Group

Registration

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