Predicting experimental electrophilicities from quantum and topological descriptors: A machine learning approach

Guillaume Hoffmann, Muhammet Balcilar, Vincent Tognetti, Pierre Héroux, Benoit Gaüzère, Sébastien Adam, Laurent Joubert

Abstract: Quantum chemistry and topological descriptors are used to predict experimental electrophilicity by means of state‐of‐the‐art machine learning techniques.