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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. ....

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