Automated design of multi-target ligands by generative deep learning
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DOI: 10.1038/s41467-024-52060-8
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- Michael Moret & Irene Pachon Angona & Leandro Cotos & Shen Yan & Kenneth Atz & Cyrill Brunner & Martin Baumgartner & Francesca Grisoni & Gisbert Schneider, 2023. "Leveraging molecular structure and bioactivity with chemical language models for de novo drug design," Nature Communications, Nature, vol. 14(1), pages 1-12, December.
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