Uncovering Highly Selective Catalysts Using AI

A new study illustrated a machine learning strategy that uses sophisticated but efficient two-dimensional molecular descriptors to reliably predict highly selective asymmetric catalysts without quantum chemical computations.

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Nobuya Tsuji ,Pavel Sidorov ,Angewandte Chemie International Edition ,Hokkaido University ,Chemie International ,Learning Based Models ,Data Analysis ,Condensed Graphs ,Angewandte Chemie International ,