Nature Computational Science on Mythryl: “📢Out now! Gisbert Schneider and colleagues pair active learning and…”

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📢Out now! Gisbert Schneider and colleagues pair active learning and geometric deep learning to predict the outcome and site selectivity of chemical reactions from scarce data, helping to accelerate the drug discovery process. www.nature.com/articles/s43... 🔓 #chemsky

nature.comAdvancing chemical reaction prediction in data-scarce drug discovery with active and geometric deep learning - Nature Computational ScienceResearchers pair active learning with geometric deep learning to predict the outcome and site selectivity of chemical reactions from scarce data, guiding experiments that accelerate drug discovery and...

9/10/26, 1:22 pm1 repost4 likes

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