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Probing the Chemical “Reactome” with High Throughput Experimentation Data
Emma King-Smith, Simon Berritt, Louise Bernier, Xinjun Hou, Jacquelyn Klug-McLeod, Jason Mustakis, Neal W. Sach, Joseph W. Tucker, Qingyi Yang, Roger M. Howard, Alpha A. Lee*
Predictive Minisci Late Stage Functionalization with Transfer Learning
Emma King-Smith, Felix A. Faber, Usa Reilly, Anton V. Sinitskiy, Qingyi Yang, Bo Liu, Dennis Hyek, Alpha A. Lee*
Transfer Learning for a Foundational Chemistry Model
Deconvoluting Low Yield from Weak Potency in Direct-to-Biology Workflows with Machine Learning
William McCorkindale, Mihajlo Filep, Nir London, Alpha A. Lee, Emma King-Smith*