Nature Catalysis, Published online: 12 February 2026; doi:10.1038/s41929-026-01478-yPredicting the function of enzymes remains difficult and current computational methods require improvement. Now EnzymeCAGE, a geometric deep learning model, has been developed to more accurately predict the functions of uncharacterized enzymes and reconstruct biosynthetic pathways.

Nature Catalysis, Published online: 12 February 2026; doi:10.1038/s41929-026-01494-yChiral carboxylic acids bearing two distinct heteroatoms at the α-carbon could tune the functions of biomolecules but have remained largely inaccessible. Now, a strategy is developed for the preparation of α,α-diheteroatomic carboxylic acids through enantioselective O–H or N–H insertion into a thia-Rh-carbene species.

Nature - Isomorphic Lab’s proprietary drug-discovery model is a major advance, but scientists developing open-source tools are left guessing how to achieve similar results.