Reaction-based machine learning representations for predicting the enantioselectivity of organocatalysts

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Authors: Simone Gallarati, Raimon Fabregat, Rubén Laplaza, Sinjini Bhattacharjee, Matthew D. Wodrich, Clemence Corminboeuf

Journal title: Chemical Science

Journal publisher: Royal Society of Chemistry

Published year: 2021

DOI identifier: 10.1039/d1sc00482d

ISSN: 2041-6520