Data-driven molecular design for discovery and synthesis of novel ligands: a case study on SARS-CoV-2

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Authors: Jannis Born, Matteo Manica, Joris Cadow, Greta Markert, Nil Adell Mill, Modestas Filipavicius, Nikita Janakarajan, Antonio Cardinale, Teodoro Laino, María Rodríguez Martínez

Journal title: Machine Learning: Science and Technology

Journal number: 2/2

Journal publisher: Machine Learning: Science and Technology

Published year: 2021

Published pages: 025024

DOI identifier: 10.1088/2632-2153/abe808

ISSN: 2632-2153