Molecular Generation with Reduced Labeling through Constraint Architecture.
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DOI: 10.1021/acs.jcim.3c00579
Abstract: In the past few years, a number of machine learning (ML)-based molecular generative models have been proposed for generating molecules with desirable properties, but they all require a large amount of label data of pharmacological… read more here.
Keywords: reduced labeling; molecular generation; generation; labeling constraint ... See more keywords