Published in
Royal Society of Chemistry, Chemical Science, 20(12), p. 6879-6889, 2021
DOI: 10.1039/d1sc00482d
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Reaction-based machine learning representations for predicting the enantioselectivity of organocatalysts
Journal article published in 2021 by
Simone Gallarati 
,
Raimon Fabregat ,
Rubén Laplaza ,
Sinjini Bhattacharjee ,
Matthew D. Wodrich ,
Clemence Corminboeuf
,
Raimon Fabregat ,
Rubén Laplaza ,
Sinjini Bhattacharjee ,
Matthew D. Wodrich ,
Clemence Corminboeuf
This paper is made freely available by the publisher.
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Abstract
A machine learning model for enantioselectivity prediction using reaction-based molecular representations.