Digital Discovery #RSCDigital’s Post

Bing Yan shares our latest featured #DigitalDiscovery article: "We introduce CatScore, a learning-based evaluation metric tailored for asymmetric catalysis in organic chemistry. CatScore enables highly efficient and effective evaluation of diverse catalyst design models at both the instance and system levels". Read the open access paper here: https://lnkd.in/eq4zTRdi

  • CatScore: automatic evaluation of catalyst design.

A catalysed organic hydrogenation reaction is shown, over the structures of two possible organometallic catalysts. A cartoon robot provides scores for each.

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