De novo generation of dual-target ligands using adversarial training and reinforcement learning.
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DOI: 10.1093/bib/bbab333
Abstract: Artificial intelligence, such as deep generative methods, represents a promising solution to de novo design of molecules with the desired properties. However, generating new molecules with biological activities toward two specific targets remains an extremely… read more here.
Keywords: dual target; novo generation; target; adversarial training ... See more keywords