Combining De Novo Design Techniques with Synthetic Enumeration

HobbieSpot
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Wed, Jan 16 - 13:00

155 Second St

Cambridge, Middlesex County

Technology

Description

Lunch and Learn lecture by Karl Leswing, Machine Learning Tech Lead
Abstract:
What is molecular diversity? A large issue with productively using new de novo design techniques is they suggest compounds that are too diverse from the lead series. We will begin by describing how some modern de novo design models work. Later we will describe how to tune the diversity of these models to productively suggest compounds in lead optimization.

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