Identifying Potential Machine Learning Algorithms for the Simulation of Binding Affinities to Molecularly Imprinted Polymers. - Joseph W. Lowdon; Hikaru Ishikura; Malene K. Kvernenes; Manlio Caldara; Thomas J. Cleij; Bart van Grinsven; Kasper Eersels; Hanne Diliën (Comput., 2021)