The importance of engineered and learned molecular representations in predicting organic reactivity, selectivity and chemical properties
The importance of engineered and learned molecular representations in predicting organic reactivity, selectivity and chemical properties, Liliana Gallegos, Guilian Luchini, Peter C. St. John, Seonah Kim, Robert S. Paton, Accounts of Chemical Research, 54, 4, 827-836 (2021)