CMGN: a conditional molecular generation net to design target-specific molecules with desired properties.
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DOI: 10.1093/bib/bbad185
Abstract: The rational design of chemical entities with desired properties for a specific target is a long-standing challenge in drug design. Generative neural networks have emerged as a powerful approach to sample novel molecules with specific… read more here.
Keywords: desired properties; molecular generation; design; generation net ... See more keywords