Widespread false negatives in DNA-encoded library data : how linker effects impair machine learning-based lead prediction
DNA-encoded chemical libraries (DECLs) have become integral to early-stage drug discovery, yielding active compounds and extensive labeled datasets for machine learning (ML)-based prediction of bioactive molecules. However, the information content of DECL selection data remains scarcely explored. This study systematically investigates for the first time the prevalence of false negatives and the in
