DNA-Encoded Chemical Library Screening with Target Titration Analysis: DELTA.

John C Faver¹, Flora Sundersingh¹, Lauren A Viarengo-Baker¹, Ying-Chu Chen¹, Katelyn Billings¹, Patrick F Riley¹, Ching-Hsuan Tsai¹, Christopher S Kollmann¹

¹Relay Therapeutics, 399 Binney Street, Cambridge, Massachusetts 02141, United States.

PubMed DOI

Abstract

DNA-encoded chemical libraries (DELs) enable the highly efficient screening of billions of small molecules for binding to a target of interest and provide valuable training data for machine learning models for virtual screening. However, DEL screening data are notoriously noisy due in large part to significant variance in the synthetic yield of library members. Here, we show an analysis from a spl…

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