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

Jannis Born, Matteo Manica, Joris Cadow, Greta Markert, Nil Adell Mill, Modestas Filipavicius, Nikita Janakarajan, Antonio Cardinale, Teodoro Laino, María Rodríguez Martínez. Data-driven molecular design for discovery and synthesis of novel ligands: a case study on SARS-CoV-2. Mach. Learn. Sci. Technol., 2(2):25024, 2021. [doi]

Authors

Jannis Born

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Matteo Manica

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Joris Cadow

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Greta Markert

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Nil Adell Mill

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Modestas Filipavicius

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Nikita Janakarajan

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Antonio Cardinale

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Teodoro Laino

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María Rodríguez Martínez

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